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181705-88-4 | 3-Pyridinecarboxylic acid, 5-(3-fluorophenyl)-
CAS No: 181705-88-4 Catalog No: AG00231W MDL No:MFCD06410259
Product Description
Catalog Number:
AG00231W
Chemical Name:
3-Pyridinecarboxylic acid, 5-(3-fluorophenyl)-
CAS Number:
181705-88-4
Molecular Formula:
C12H8FNO2
Molecular Weight:
217.1958
MDL Number:
MFCD06410259
IUPAC Name:
5-(3-fluorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8FNO2/c13-11-3-1-2-8(5-11)9-4-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)
InChI Key:
JARUBMHXTMGGFA-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1cncc(c1)C(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.199g/mol
Monoisotopic Mass:
217.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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