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15855-06-8 | 4-Pyridinecarboxylic acid, 2-chloro-6-methoxy-
CAS No: 15855-06-8 Catalog No: AG001QAK MDL No:MFCD00173928
Product Description
Catalog Number:
AG001QAK
Chemical Name:
4-Pyridinecarboxylic acid, 2-chloro-6-methoxy-
CAS Number:
15855-06-8
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD00173928
IUPAC Name:
2-chloro-6-methoxypyridine-4-carboxylic acid
InChI:
InChI=1S/C7H6ClNO3/c1-12-6-3-4(7(10)11)2-5(8)9-6/h2-3H,1H3,(H,10,11)
InChI Key:
PJQBTHQTVJMCFX-UHFFFAOYSA-N
SMILES:
COc1nc(Cl)cc(c1)C(=O)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:
1.6
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