(4-bromophenyl)(1H-indol-7-yl)methanone
Basic information
- CAS
91714-50-0- Standard SMILES
O=C(c1ccc(Br)cc1)c1cccc2cc[nH]c12- InChIKey
RNXKQFMCSXIADL-UHFFFAOYSA-N- Molecular formula
- C15H10BrNO
- Average molar mass
- 300.15 g/mol
- Monoisotopic mass
- 298.99458
Names & identifiers
- Preferred name
- (4-bromophenyl)(1H-indol-7-yl)methanone
- IUPAC
- (4-bromophenyl)-(1H-indol-7-yl)methanone
- English name
- 7-(4-Bromobenzoyl)indole
- Molecular formula
- C15H10BrNO
- Molecular weight
- 300.15
Names & synonyms
91714-50-0(4-bromophenyl)(1H-indol-7-yl)methanone7-(4-Bromobenzoyl)indoleMethanone, (4-bromophenyl)-1H-indol-7-yl-(4-bromophenyl)-(1H-indol-7-yl)methanoneMFCD08694391Bromfenac Impurity JSK5ZL5ZP93(4-Bromophenyl);(1H-indol-7-yl);methanone(4-Bromophenyl)(7-indolyl)methanone(4-Bromophenyl)-1H-indol-7-ylmethanoneBromfecImpurity12
Show more names
Bromfenac Impurity 13
7-[(4-Bromophenyl)carbonyl]-1H-indoleUNII-SK5ZL5ZP93Bromfenac sodium Impurity 5SCHEMBL9141346DTXSID30451889ALBB-013706AKOS000280116BS-41899
Database identifiers
- CAS
91714-50-0- PubChem CID
- 11012009
- DTXSID
DTXSID30451889- UNII
- SK5ZL5ZP93
- Nikkaji
- J3.556.161G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 162 · 162-164℃
- Boiling point
- 468.6 · 468.6±20.0 °C(Predicted)
- Density
- 1.53 · 1.530
- pka
- 15.06 · 15.06±0.30(Predicted)
- InChI
- InChI=1S/C15H10BrNO/c16-12-6-4-11(5-7-12)15(18)13-3-1-2-10-8-9-17-14(10)13/h1-9,17H
- InChIKey
- RNXKQFMCSXIADL-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(Br)C=C1)(C1C2=C(C=CC=1)C=CN2)=O
- FDA UNII
- 5 ZL5ZP93 · SK5ZL5ZP93
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…