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1261904-70-4 | 2-Pyridinecarboxylic acid, 6-(3-fluoro-4-methylphenyl)-
CAS No: 1261904-70-4 Catalog No: AG000S5K MDL No:MFCD18317028
Product Description
Catalog Number:
AG000S5K
Chemical Name:
2-Pyridinecarboxylic acid, 6-(3-fluoro-4-methylphenyl)-
CAS Number:
1261904-70-4
Molecular Formula:
C13H10FNO2
Molecular Weight:
231.2224
MDL Number:
MFCD18317028
IUPAC Name:
6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H10FNO2/c1-8-5-6-9(7-10(8)14)11-3-2-4-12(15-11)13(16)17/h2-7H,1H3,(H,16,17)
InChI Key:
SSMDRGRPDSFUDA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(n1)c1ccc(c(c1)F)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.226g/mol
Monoisotopic Mass:
231.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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