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Home > Fluorides > 101394-18-7
101394-18-7 | 2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-[4-(trifluoromethyl)phenyl]-
CAS No: 101394-18-7 Catalog No: AG0004DB MDL No:
Product Description
Catalog Number:
AG0004DB
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, dihydro-3-methyl-1-[4-(trifluoromethyl)phenyl]-
CAS Number:
101394-18-7
Molecular Formula:
C12H11F3N2O2
Molecular Weight:
272.2231
IUPAC Name:
3-methyl-1-[4-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C12H11F3N2O2/c1-16-10(18)6-7-17(11(16)19)9-4-2-8(3-5-9)12(13,14)15/h2-5H,6-7H2,1H3
InChI Key:
GWSSXUXEFLGFOJ-UHFFFAOYSA-N
SMILES:
CN1C(=O)CCN(C1=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.227g/mol
Monoisotopic Mass:
272.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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