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1227511-52-5 | 2-Pyridinecarboxylic acid, 3-fluoro-5-methoxy-
CAS No: 1227511-52-5 Catalog No: AG000J9N MDL No:MFCD16611229
Product Description
Catalog Number:
AG000J9N
Chemical Name:
2-Pyridinecarboxylic acid, 3-fluoro-5-methoxy-
CAS Number:
1227511-52-5
Molecular Formula:
C7H6FNO3
Molecular Weight:
171.1258
MDL Number:
MFCD16611229
IUPAC Name:
3-fluoro-5-methoxypyridine-2-carboxylic acid
InChI:
InChI=1S/C7H6FNO3/c1-12-4-2-5(8)6(7(10)11)9-3-4/h2-3H,1H3,(H,10,11)
InChI Key:
MMHJUFRNPHWXOP-UHFFFAOYSA-N
SMILES:
COc1cnc(c(c1)F)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:
171.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.127g/mol
Monoisotopic Mass:
171.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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