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Home > Fluorides > 203938-27-6
203938-27-6 | 2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-(trifluoromethyl)-
CAS No: 203938-27-6 Catalog No: AG00297H MDL No:MFCD20727883
Product Description
Catalog Number:
AG00297H
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-methyl-6-(trifluoromethyl)-
CAS Number:
203938-27-6
Molecular Formula:
C6H5F3N2O2
Molecular Weight:
194.1113
MDL Number:
MFCD20727883
IUPAC Name:
1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C6H5F3N2O2/c1-11-3(6(7,8)9)2-4(12)10-5(11)13/h2H,1H3,(H,10,12,13)
InChI Key:
HMOPMAWBRBERLG-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(c(c1)C(F)(F)F)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.113g/mol
Monoisotopic Mass:
194.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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