Home Carboxys 3'-Aminobiphenyl-3-carboxylic acid

3'-Aminobiphenyl-3-carboxylic acid

CAS No.:
124221-71-2
Catalog Number:
AG000LP7
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
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Product Description
Catalog Number:
AG000LP7
Chemical Name:
3'-Aminobiphenyl-3-carboxylic acid
CAS Number:
124221-71-2
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD03839954
IUPAC Name:
3-(3-aminophenyl)benzoic acid
InChI:
InChI=1S/C13H11NO2/c14-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13(15)16/h1-8H,14H2,(H,15,16)
InChI Key:
RQKFSJNOPKCEJI-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach. Journal of medicinal chemistry 20050407
Properties