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1192608-90-4

1192608-90-4 | 2-Pyridinecarboxylic acid, 3-(4-fluorophenyl)-

CAS No: 1192608-90-4 Catalog No: AG000IG9 MDL No:MFCD14700040

Product Description

Catalog Number:
AG000IG9
Chemical Name:
2-Pyridinecarboxylic acid, 3-(4-fluorophenyl)-
CAS Number:
1192608-90-4
Molecular Formula:
C12H8FNO2
Molecular Weight:
217.1958
MDL Number:
MFCD14700040
IUPAC Name:
3-(4-fluorophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H8FNO2/c13-9-5-3-8(4-6-9)10-2-1-7-14-11(10)12(15)16/h1-7H,(H,15,16)
InChI Key:
XBHRQJLIWJGHMP-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cccnc1C(=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:
2.4  

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