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101419-78-7 | 3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-
CAS No: 101419-78-7 Catalog No: AG0004FT MDL No:MFCD14700037
Product Description
Catalog Number:
AG0004FT
Chemical Name:
3-Pyridinecarboxylic acid, 2-(4-fluorophenyl)-
CAS Number:
101419-78-7
Molecular Formula:
C12H8FNO2
Molecular Weight:
217.1958
MDL Number:
MFCD14700037
IUPAC Name:
2-(4-fluorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8FNO2/c13-9-5-3-8(4-6-9)11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)
InChI Key:
ACGWDCZWNMSHNE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1ncccc1C(=O)O
Properties
Complexity:
251
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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