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1479-96-5 | 2,3-Pyridinedicarboxylic acid, 5-fluoro-
CAS No: 1479-96-5 Catalog No: AG001FAD MDL No:
Product Description
Catalog Number:
AG001FAD
Chemical Name:
2,3-Pyridinedicarboxylic acid, 5-fluoro-
CAS Number:
1479-96-5
Molecular Formula:
C7H4FNO4
Molecular Weight:
185.1094
IUPAC Name:
5-fluoropyridine-2,3-dicarboxylic acid
InChI:
InChI=1S/C7H4FNO4/c8-3-1-4(6(10)11)5(7(12)13)9-2-3/h1-2H,(H,10,11)(H,12,13)
InChI Key:
PYSLFGOXLSPBSX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)cnc1C(=O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.11g/mol
Monoisotopic Mass:
185.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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