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2-(3-Aminophenyl)benzoic acid - 98%, high purity , CAS No.67856-54-6
Basic Description
Synonyms
67856-54-6 | 2-(3-Aminophenyl)benzoic acid | 3'-Amino-[1,1'-biphenyl]-2-carboxylic acid | 2-Biphenyl-3'-amino-carboxylic acid | 3'-amino-biphenyl-2-carboxylic acid | 2-Biphenyl-3'-amino-carboxylicacid | 3-aminophenylbenzoic acid | 3'-Amino-[1,1'-biphenyl]-2-carboxylica
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Benzoic acids Benzoyl derivatives Aniline and substituted anilines Amino acids Carboxylic acids Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-(3-aminophenyl)benzoic acid
INCHI
InChI=1S/C13H11NO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,14H2,(H,15,16)
InChIKey
UJLZGGUKWSTQJC-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C2=CC(=CC=C2)N)C(=O)O
Isomeric SMILES
C1=CC=C(C(=C1)C2=CC(=CC=C2)N)C(=O)O
Molecular Weight
213.2
Reaxy-Rn
2723373
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2723373&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.230 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
213.079 Da
Monoisotopic Mass
213.079 Da
Topological Polar Surface Area
63.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
254.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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