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2'-Aminobenzophenone-2-carboxylic Acid - 97%, high purity , CAS No.1147-43-9
Basic Description
Synonyms
Benzoic acid, 2-(2-aminobenzoyl)- | 2-(aminobenzoyl)benzoic acid | MFCD00007715 | SY051716 | A803223 | KORKIRUGUNPQML-UHFFFAOYSA- | Y14606 | SCHEMBL2028031 | EINECS 214-554-8 | FT-0633403 | HMS1543N01 | 2-Aminobenzophenone-2(2)-carboxylic acid | MFCD00005
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzophenones
Intermediate Tree Nodes
Not available
Direct Parent
Benzophenones
Alternative Parents
Diphenylmethanes Aryl-phenylketones Benzoic acids Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Aryl ketone - Vinylogous amide - Amino acid or derivatives - Amino acid - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
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
Pubchem Sid
488184609
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184609
IUPAC Name
2-(2-aminobenzoyl)benzoic acid
INCHI
InChI=1S/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18)
InChIKey
KORKIRUGUNPQML-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2N)C(=O)O
Isomeric SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2N)C(=O)O
WGK Germany
3
Molecular Weight
241.25
Beilstein
14(4)2579
Reaxy-Rn
2696392
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2696392&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Sensitivity
light sensitive
Melt Point(°C)
199°C(lit.)
Molecular Weight
241.240 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
241.074 Da
Monoisotopic Mass
241.074 Da
Topological Polar Surface Area
80.400 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
329.000
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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L2007194