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15870-75-4 | 1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-4-methyl-
CAS No: 15870-75-4 Catalog No: AG001QSH MDL No:
Product Description
Catalog Number:
AG001QSH
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 6-bromo-4-methyl-
CAS Number:
15870-75-4
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
IUPAC Name:
6-bromo-4-methyl-2H-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C4H4BrN3O2/c1-8-3(9)2(5)6-7-4(8)10/h1H3,(H,7,10)
InChI Key:
YRHJXSGTGUSTPU-UHFFFAOYSA-N
SMILES:
Cn1c(=O)c(Br)n[nH]c1=O
NSC Number:
92089
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.949g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.999g/mol
Monoisotopic Mass:
204.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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