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Home > Nitro Compounds > 116057-95-5
116057-95-5 | 2H-1,2,3-Triazole, 2-methyl-4-(trinitromethyl)-
CAS No: 116057-95-5 Catalog No: AG000BI3 MDL No:
Product Description
Catalog Number:
AG000BI3
Chemical Name:
2H-1,2,3-Triazole, 2-methyl-4-(trinitromethyl)-
CAS Number:
116057-95-5
Molecular Formula:
C4H4N6O6
Molecular Weight:
232.1112
IUPAC Name:
2-methyl-4-(trinitromethyl)triazole
InChI:
InChI=1S/C4H4N6O6/c1-7-5-2-3(6-7)4(8(11)12,9(13)14)10(15)16/h2H,1H3
InChI Key:
LTJCYNVVCABISF-UHFFFAOYSA-N
SMILES:
Cn1ncc(n1)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.112g/mol
Monoisotopic Mass:
232.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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