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19136-42-6 | "1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione"
CAS No: 19136-42-6 Catalog No: AG01FN2I MDL No:MFCD01952047
Product Description
Catalog Number:
AG01FN2I
Chemical Name:
"1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione"
CAS Number:
19136-42-6
Molecular Formula:
C11H7F3N2O3
Molecular Weight:
272.1801
MDL Number:
MFCD01952047
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C11H7F3N2O3/c12-11(13,14)6-2-1-3-7(4-6)16-9(18)5-8(17)15-10(16)19/h1-4H,5H2,(H,15,17,19)
InChI Key:
FTXXBLMVXODILI-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)N(C(=O)N1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.183g/mol
Monoisotopic Mass:
272.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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