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149770-27-4 | 3-PYRIDINECARBOXYLIC ACID, 2-PHENYL-6-(TRIFLUOROMETHYL)-, ETHYL ESTER
CAS No: 149770-27-4 Catalog No: AG001M0Q MDL No:
Product Description
Catalog Number:
AG001M0Q
Chemical Name:
3-PYRIDINECARBOXYLIC ACID, 2-PHENYL-6-(TRIFLUOROMETHYL)-, ETHYL ESTER
CAS Number:
149770-27-4
Molecular Formula:
C15H12F3NO2
Molecular Weight:
295.2565
IUPAC Name:
ethyl 2-phenyl-6-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C15H12F3NO2/c1-2-21-14(20)11-8-9-12(15(16,17)18)19-13(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
SROQZUXXKJZWGA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1c1ccccc1)C(F)(F)F
Properties
Complexity:
353
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:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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