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1256810-46-4 | 2-Pyridinecarboxylic acid, 5-amino-3-chloro-
CAS No: 1256810-46-4 Catalog No: AG000OEP MDL No:
Product Description
Catalog Number:
AG000OEP
Chemical Name:
2-Pyridinecarboxylic acid, 5-amino-3-chloro-
CAS Number:
1256810-46-4
Molecular Formula:
C6H5ClN2O2
Molecular Weight:
172.5691
IUPAC Name:
5-amino-3-chloropyridine-2-carboxylic acid
InChI:
InChI=1S/C6H5ClN2O2/c7-4-1-3(8)2-9-5(4)6(10)11/h1-2H,8H2,(H,10,11)
InChI Key:
YPRMDVNOKYHKHJ-UHFFFAOYSA-N
SMILES:
Nc1cnc(c(c1)Cl)C(=O)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.004g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.568g/mol
Monoisotopic Mass:
172.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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