Basic information
- CAS
100874-12-2- Standard SMILES
O=C(Nc1ccccc1C(=O)O)c1ccc(Br)cc1- InChIKey
HXYGUIBNBZJOOW-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO3
- Average molar mass
- 320.14 g/mol
- Monoisotopic mass
- 318.98441
Names & identifiers
- Preferred name
- Benzoic acid, 2-[(4-bromobenzoyl)amino]-
- IUPAC
- 2-[(4-bromobenzoyl)amino]benzoic acid
Names & synonyms
100874-12-2Benzoic acid, 2-[(4-bromobenzoyl)amino]-2-{[(4-bromophenyl)carbonyl]amino}benzoic acid2-[(4-bromobenzoyl)amino]benzoic Acid2-(4-BROMOBENZAMIDO)BENZOIC ACIDOprea1_797704SCHEMBL1307525DTXSID10398405HXYGUIBNBZJOOW-UHFFFAOYSA-NSTK156130AKOS000129728DB-313244
Database identifiers
- CAS
100874-12-2- PubChem CID
- 3987992
- DTXSID
DTXSID10398405- Nikkaji
- J1.773.897F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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