Research chemical
CAS Number: 1322616-34-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
53353509
Exact Mass
290.045133
InChIKey
IHYDPJKFRHSULT-WTKPLQERSA-N
IUPAC Name
(3Z)-6-fluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methylidene]-4-nitro-2-benzofuran-1-one
SMILES String
Cn1ncnc1/C=C1\OC(=O)c2cc(F)cc([N+](=O)[O-])c21
No physical property values available.
XLogP
1.5
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
21
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
2
Ring count
3
Aromatic rings
2
Topological polar surface area
100.15 Ų
Computed LogP
1.53
Structural features
1(3H)-Isobenzofuranone, 6-fluoro-3-((1-methyl-1H-1,2,4-triazol-5-yl)methylene)-4-nitro-, (3Z)- (CAS 1322616-34-1) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C12H7FN4O4 and molecular weight 290. 21 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
1(3H)-Isobenzofuranone, 6-fluoro-3-((1-methyl-1H-1,2,4-triazol-5-yl)methylene)-4-nitro-, (3Z)- is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSignal word: Warning
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302, H315, H319, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P280, P301+P312, P302+P352, P305+P351+P338
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.