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140366-92-3 | 1H-1,2,3-Triazole, 4-(bromodinitromethyl)-1-methyl-
CAS No: 140366-92-3 Catalog No: AG001CAD MDL No:
Product Description
Catalog Number:
AG001CAD
Chemical Name:
1H-1,2,3-Triazole, 4-(bromodinitromethyl)-1-methyl-
CAS Number:
140366-92-3
Molecular Formula:
C4H4BrN5O4
Molecular Weight:
266.0097
IUPAC Name:
4-[bromo(dinitro)methyl]-1-methyltriazole
InChI:
InChI=1S/C4H4BrN5O4/c1-8-2-3(6-7-8)4(5,9(11)12)10(13)14/h2H,1H3
InChI Key:
CLBBZHCMKKMUGF-UHFFFAOYSA-N
SMILES:
BrC(c1nnn(c1)C)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.945g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.011g/mol
Monoisotopic Mass:
264.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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