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306960-67-8 | 5-Pyrimidinecarboxylic acid, 4-methyl-2-(trifluoromethyl)-, ethyl ester
CAS No: 306960-67-8 Catalog No: AG0030YU MDL No:MFCD07367386
Product Description
Catalog Number:
AG0030YU
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-methyl-2-(trifluoromethyl)-, ethyl ester
CAS Number:
306960-67-8
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
MDL Number:
MFCD07367386
IUPAC Name:
ethyl 4-methyl-2-(trifluoromethyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C9H9F3N2O2/c1-3-16-7(15)6-4-13-8(9(10,11)12)14-5(6)2/h4H,3H2,1-2H3
InChI Key:
LYEKBQSEKSEXLT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1C)C(F)(F)F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.178g/mol
Monoisotopic Mass:
234.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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