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1330750-37-2 | 2-Pyridinecarboxylic acid, 6-(5-fluoro-2-methylphenyl)-, ethyl ester
CAS No: 1330750-37-2 Catalog No: AG00146F MDL No:MFCD19981560
Product Description
Catalog Number:
AG00146F
Chemical Name:
2-Pyridinecarboxylic acid, 6-(5-fluoro-2-methylphenyl)-, ethyl ester
CAS Number:
1330750-37-2
Molecular Formula:
C15H14FNO2
Molecular Weight:
259.2756
MDL Number:
MFCD19981560
IUPAC Name:
ethyl 6-(5-fluoro-2-methylphenyl)pyridine-2-carboxylate
InChI:
InChI=1S/C15H14FNO2/c1-3-19-15(18)14-6-4-5-13(17-14)12-9-11(16)8-7-10(12)2/h4-9H,3H2,1-2H3
InChI Key:
PJMDBXWPCQSFDB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(n1)c1cc(F)ccc1C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.28g/mol
Monoisotopic Mass:
259.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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