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Home > Fluorides > 1311280-43-9
1311280-43-9 | 3-(6-Methyl-4-trifluoromethyl-pyridin-2-yl)-benzoic acid methyl ester
CAS No: 1311280-43-9 Catalog No: AG01F528 MDL No:
Product Description
Catalog Number:
AG01F528
Chemical Name:
3-(6-Methyl-4-trifluoromethyl-pyridin-2-yl)-benzoic acid methyl ester
CAS Number:
1311280-43-9
Molecular Formula:
C15H12F3NO2
Molecular Weight:
295.2565
IUPAC Name:
methyl 3-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]benzoate
InChI:
InChI=1S/C15H12F3NO2/c1-9-6-12(15(16,17)18)8-13(19-9)10-4-3-5-11(7-10)14(20)21-2/h3-8H,1-2H3
InChI Key:
KUDVTBZTDRYYLP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1nc(C)cc(c1)C(F)(F)F
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.261g/mol
Monoisotopic Mass:
295.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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