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1256811-09-2 | 2-Pyridinecarboxylic acid, 3-chloro-5-hydroxy-, methyl ester
CAS No: 1256811-09-2 Catalog No: AG000OEK MDL No:MFCD18257707
Product Description
Catalog Number:
AG000OEK
Chemical Name:
2-Pyridinecarboxylic acid, 3-chloro-5-hydroxy-, methyl ester
CAS Number:
1256811-09-2
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD18257707
IUPAC Name:
methyl 3-chloro-5-hydroxypyridine-2-carboxylate
InChI:
InChI=1S/C7H6ClNO3/c1-12-7(11)6-5(8)2-4(10)3-9-6/h2-3,10H,1H3
InChI Key:
RXNSZEHWKPGCGM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1Cl)O
Properties
Complexity:
176
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:
4
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:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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