Basic information
- CAS
89846-77-5- Standard SMILES
Nc1ccc(NC(=O)c2ccc(C(=O)O)cc2)cc1- InChIKey
CRSYKZZUXKPAFM-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- 4-(((4-Aminophenyl)amino)carbonyl)benzoic acid
- IUPAC
- 4-[(4-aminophenyl)carbamoyl]benzoic acid
Names & synonyms
benzoic acid, 4-[[(4-aminophenyl)amino]carbonyl]-DTXSID103491394-{[(4-aminophenyl)amino]carbonyl}benzoic acid4-[[(4-Aminophenyl)amino]carbonyl]benzoic acid4-(((4-Aminophenyl)amino)carbonyl)benzoic acidbenzoic acid, 4-(((4-aminophenyl)amino)carbonyl)-RefChem:286238DTXCID20300211InChI=1/C14H12N2O3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8H,15H2,(H,16,17)(H,18,1989846-77-54-[(4-aminophenyl)carbamoyl]benzoic acid4-((4-Aminophenyl)carbamoyl)benzoic acid
Show more names
SCHEMBL7877076EN300-19453910
Database identifiers
- CAS
89846-77-5- PubChem CID
- 643287
- DTXSID
DTXSID10349139- Nikkaji
- J1.954.388I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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