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1214386-04-5 | 2-Pyridinecarboxylic acid, 5-chloro-1,6-dihydro-6-oxo-, methyl ester
CAS No: 1214386-04-5 Catalog No: AG0014ZI MDL No:MFCD23135716
Product Description
Catalog Number:
AG0014ZI
Chemical Name:
2-Pyridinecarboxylic acid, 5-chloro-1,6-dihydro-6-oxo-, methyl ester
CAS Number:
1214386-04-5
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD23135716
IUPAC Name:
methyl 5-chloro-6-oxo-1H-pyridine-2-carboxylate
InChI:
InChI=1S/C7H6ClNO3/c1-12-7(11)5-3-2-4(8)6(10)9-5/h2-3H,1H3,(H,9,10)
InChI Key:
WDIXHYQKZMVNEA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(=O)[nH]1)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.579g/mol
Monoisotopic Mass:
187.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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