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304693-64-9 | 5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS No: 304693-64-9 Catalog No: AG00308N MDL No:MFCD09754048
Product Description
Catalog Number:
AG00308N
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS Number:
304693-64-9
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
MDL Number:
MFCD09754048
IUPAC Name:
ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3
InChI Key:
LRUCUGOOQHJEQP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1)C(F)(F)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.151g/mol
Monoisotopic Mass:
220.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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