2'-Aminobiphenyl-3-carboxylic acid

HCID 2772297CAS 177171-15-2

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Basic information

Standard SMILES: Nc1ccccc1-c1cccc(C(=O)O)c1
InChIKey: KAOICWOHZSZVKE-UHFFFAOYSA-N
Molecular formula: C13H11NO2
Average molar mass: 213.23 g/mol
Monoisotopic mass: 213.07897859

Names & identifiers

Preferred name: 2'-Aminobiphenyl-3-carboxylic acid
IUPAC: 3-(2-aminophenyl)benzoic acid
English name: 3-(2-Aminophenyl)benzoic acid
Molecular formula: C13H11NO2
Molecular weight: 213.23

Names & synonyms

177171-15-22'-aminobiphenyl-3-carboxylic acid3-(2-aminophenyl)benzoic Acid2'-Amino-[1,1'-biphenyl]-3-carboxylic acid2'-amino-biphenyl-3-carboxylic acid2'-amino[1,1'-biphenyl]-3-carboxylic acidMFCD03990478[1,1'-Biphenyl]-3-carboxylic acid, 2'-amino-SCHEMBL1618629DTXSID20378213KAOICWOHZSZVKE-UHFFFAOYSA-NBBL000110

Show more names

2′-NITRO BI PHENYL-3-CARBOXILIC ACID[1,1'-Biphenyl]-3-carboxylicacid, 2'-amino-2′-Amino-biphenyl-3-carboxylic acid, CAS 177171-15-2

STK032743AKOS000314412SB79134VS-004502'-amino-1,1'-biphenyl-3-carboxylic acidDB-346914CS-04483392'-Amino-[1,1'-biphenyl]-3-carboxylicacid

Database identifiers

CAS: 177171-15-2
PubChem CID: 2772297
DTXSID: DTXSID20378213
Nikkaji: J738.200F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 254

Physicochemical properties

Boiling point: 437.8 · 437.8±28.0 °C(Predicted)
Density: 1.257 · 1.257±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 4.09 · 4.09±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501