Research chemical
CAS Number: 851627-62-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
11455973
Exact Mass
577.97194
InChIKey
GZSOKPMDWVRVMG-UHFFFAOYSA-N
IUPAC Name
2-[N-(2-bromoethyl)-2,4-dinitro-6-(2-phosphonooxyethylcarbamoyl)anilino]ethyl methanesulfonate
SMILES String
CS(=O)(=O)OCCN(CCBr)c1c(C(=O)NCCOP(=O)(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Pr 104 is identified by CAS 851627-62-8, with molecular formula C14H20BrN4O12PS, molecular weight 579.3, InChIKey GZSOKPMDWVRVMG-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
33
H-bond acceptors
16
H-bond donors
3
Rotatable bonds
14
Ring count
1
Aromatic rings
1
Topological polar surface area
228.75 Ų
Computed LogP
0.52
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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.
Structural features
Pr 104 (CAS 851627-62-8) is maintained as a commercial cas reference with formula C14H20BrN4O12PS, molecular weight 579. 30 g/mol, PubChem CID 11455973.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, phosphine-ligand motif.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.