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Home > Nitro Compounds > 291543-10-7
291543-10-7 | 1H-1,2,4-Triazole, 3-nitro-1-(nitromethyl)-
CAS No: 291543-10-7 Catalog No: AG002XIF MDL No:
Product Description
Catalog Number:
AG002XIF
Chemical Name:
1H-1,2,4-Triazole, 3-nitro-1-(nitromethyl)-
CAS Number:
291543-10-7
Molecular Formula:
C3H3N5O4
Molecular Weight:
173.0870
IUPAC Name:
3-nitro-1-(nitromethyl)-1,2,4-triazole
InChI:
InChI=1S/C3H3N5O4/c9-7(10)2-6-1-4-3(5-6)8(11)12/h1H,2H2
InChI Key:
CFOHRKOGLRGZBE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)Cn1cnc(n1)[N+](=O)[O-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.088g/mol
Monoisotopic Mass:
173.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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