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188781-15-9 | 5-Pyrimidinecarboxylic acid, 2,4-bis(trifluoromethyl)-, ethyl ester
CAS No: 188781-15-9 Catalog No: AG002HBE MDL No:MFCD07367385
Product Description
Catalog Number:
AG002HBE
Chemical Name:
5-Pyrimidinecarboxylic acid, 2,4-bis(trifluoromethyl)-, ethyl ester
CAS Number:
188781-15-9
Molecular Formula:
C9H6F6N2O2
Molecular Weight:
288.1466
MDL Number:
MFCD07367385
IUPAC Name:
ethyl 2,4-bis(trifluoromethyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C9H6F6N2O2/c1-2-19-6(18)4-3-16-7(9(13,14)15)17-5(4)8(10,11)12/h3H,2H2,1H3
InChI Key:
SRFVAGSJHJMMME-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.033g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.149g/mol
Monoisotopic Mass:
288.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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