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15870-77-6 | 1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-4-methyl-2-(2,2,2-trifluoroacetyl)-
CAS No: 15870-77-6 Catalog No: AG001QSF MDL No:
Product Description
Catalog Number:
AG001QSF
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-4-methyl-2-(2,2,2-trifluoroacetyl)-
CAS Number:
15870-77-6
Molecular Formula:
C6H3BrF3N3O3
Molecular Weight:
302.0055
IUPAC Name:
6-bromo-4-methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C6H3BrF3N3O3/c1-12-3(14)2(7)11-13(5(12)16)4(15)6(8,9)10/h1H3
InChI Key:
GRLZSPXFALUFGI-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)n1nc(Br)c(=O)n(c1=O)C
NSC Number:
93478
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.931g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.007g/mol
Monoisotopic Mass:
300.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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