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1261934-09-1 | 3-Pyridinecarboxylic acid, 5-(4-fluoro-3-methoxyphenyl)-
CAS No: 1261934-09-1 Catalog No: AG000S7K MDL No:MFCD18317538
Product Description
Catalog Number:
AG000S7K
Chemical Name:
3-Pyridinecarboxylic acid, 5-(4-fluoro-3-methoxyphenyl)-
CAS Number:
1261934-09-1
Molecular Formula:
C13H10FNO3
Molecular Weight:
247.2218
MDL Number:
MFCD18317538
IUPAC Name:
5-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H10FNO3/c1-18-12-5-8(2-3-11(12)14)9-4-10(13(16)17)7-15-6-9/h2-7H,1H3,(H,16,17)
InChI Key:
KZNJNHUFTLNHKB-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1F)c1cncc(c1)C(=O)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.225g/mol
Monoisotopic Mass:
247.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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