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1170213-44-1 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-amino-, hydrochloride (1:1)
CAS No: 1170213-44-1 Catalog No: AG000DK4 MDL No:
Product Description
Catalog Number:
AG000DK4
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-amino-, hydrochloride (1:1)
CAS Number:
1170213-44-1
Molecular Formula:
C13H12ClNO2
Molecular Weight:
249.6929
IUPAC Name:
3-(4-aminophenyl)benzoic acid;hydrochloride
InChI:
InChI=1S/C13H11NO2.ClH/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16;/h1-8H,14H2,(H,15,16);1H
InChI Key:
IDSTZXQULFFYBL-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1cccc(c1)C(=O)O.Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.694g/mol
Monoisotopic Mass:
249.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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