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1214348-98-7 | 4-Pyridinecarboxylic acid, 3-(4-fluorophenyl)-
CAS No: 1214348-98-7 Catalog No: AG0014V6 MDL No:MFCD14700043
Product Description
Catalog Number:
AG0014V6
Chemical Name:
4-Pyridinecarboxylic acid, 3-(4-fluorophenyl)-
CAS Number:
1214348-98-7
Molecular Formula:
C12H8FNO2
Molecular Weight:
217.1958
MDL Number:
MFCD14700043
IUPAC Name:
3-(4-fluorophenyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C12H8FNO2/c13-9-3-1-8(2-4-9)11-7-14-6-5-10(11)12(15)16/h1-7H,(H,15,16)
InChI Key:
SAVPAPRZYFBSII-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cnccc1C(=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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