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149771-10-8 | 5-Pyrimidinecarboxylic acid, 2-methyl-4-(trifluoromethyl)-, ethyl ester
CAS No: 149771-10-8 Catalog No: AG001M0N MDL No:MFCD04126023
Product Description
Catalog Number:
AG001M0N
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-methyl-4-(trifluoromethyl)-, ethyl ester
CAS Number:
149771-10-8
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
MDL Number:
MFCD04126023
IUPAC Name:
ethyl 2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C9H9F3N2O2/c1-3-16-8(15)6-4-13-5(2)14-7(6)9(10,11)12/h4H,3H2,1-2H3
InChI Key:
VMWMGUFOGFSMFY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1C(F)(F)F)C
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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