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84596-07-6 | 3-Pyridinecarboxylic acid, 2-amino-5-(4-chlorophenyl)-
CAS No: 84596-07-6 Catalog No: AG004QCE MDL No:
Product Description
Catalog Number:
AG004QCE
Chemical Name:
3-Pyridinecarboxylic acid, 2-amino-5-(4-chlorophenyl)-
CAS Number:
84596-07-6
Molecular Formula:
C12H9ClN2O2
Molecular Weight:
248.6651
IUPAC Name:
2-amino-5-(4-chlorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H9ClN2O2/c13-9-3-1-7(2-4-9)8-5-10(12(16)17)11(14)15-6-8/h1-6H,(H2,14,15)(H,16,17)
InChI Key:
JZGNUJHBBQIKTF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cnc(c(c1)C(=O)O)N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.666g/mol
Monoisotopic Mass:
248.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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