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1258613-93-2 | 3-Pyridinecarboxylic acid, 5-(4-carboxy-3-fluorophenyl)-
CAS No: 1258613-93-2 Catalog No: AG000OV8 MDL No:MFCD18085602
Product Description
Catalog Number:
AG000OV8
Chemical Name:
3-Pyridinecarboxylic acid, 5-(4-carboxy-3-fluorophenyl)-
CAS Number:
1258613-93-2
Molecular Formula:
C13H8FNO4
Molecular Weight:
261.2053
MDL Number:
MFCD18085602
IUPAC Name:
5-(4-carboxy-3-fluorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H8FNO4/c14-11-4-7(1-2-10(11)13(18)19)8-3-9(12(16)17)6-15-5-8/h1-6H,(H,16,17)(H,18,19)
InChI Key:
HODASSBFEUUHHM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1ccc(c(c1)F)C(=O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.208g/mol
Monoisotopic Mass:
261.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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