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1256789-21-5 | 2-Pyridinecarboxylic acid, 5-chloro-3-methoxy-
CAS No: 1256789-21-5 Catalog No: AG000OCA MDL No:MFCD18257356
Product Description
Catalog Number:
AG000OCA
Chemical Name:
2-Pyridinecarboxylic acid, 5-chloro-3-methoxy-
CAS Number:
1256789-21-5
Molecular Formula:
C7H6ClNO3
Molecular Weight:
187.5804
MDL Number:
MFCD18257356
IUPAC Name:
5-chloro-3-methoxypyridine-2-carboxylic acid
InChI:
InChI=1S/C7H6ClNO3/c1-12-5-2-4(8)3-9-6(5)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key:
ZIRPEVXBEZKGKY-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)cnc1C(=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:
1.3
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