Research chemical
CAS Number: 5778-13-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
59538643
Exact Mass
348.01498
InChIKey
JSUCPIPHSJQUKR-UHFFFAOYSA-N
IUPAC Name
1-(4-bromophenyl)-3-phenyl-2-benzofuran
SMILES String
Brc1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1
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.
1-(4-Bromophenyl)-3-phenylisobenzofuran is identified by CAS 5778-13-2, with molecular formula C20H13BrO, molecular weight 349.2, InChIKey JSUCPIPHSJQUKR-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
22
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
2
Ring count
4
Aromatic rings
4
Topological polar surface area
13.14 Ų
Computed LogP
6.53
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
1-(4-Bromophenyl)-3-phenylisobenzofuran (CAS 5778-13-2) is maintained as a commercial cas reference with formula C20H13BrO, molecular weight 349. 20 g/mol, PubChem CID 59538643.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.