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Home > Nitro Compounds > 1199-63-9
1199-63-9 | 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-
CAS No: 1199-63-9 Catalog No: AG000PUQ MDL No:
Product Description
Catalog Number:
AG000PUQ
Chemical Name:
1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-
CAS Number:
1199-63-9
Molecular Formula:
C3H3N5O4
Molecular Weight:
173.0870
IUPAC Name:
1-methyl-3,5-dinitro-1,2,4-triazole
InChI:
InChI=1S/C3H3N5O4/c1-6-3(8(11)12)4-2(5-6)7(9)10/h1H3
InChI Key:
KVIRASHUIHAZJN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(c(n1)[N+](=O)[O-])C
Properties
Complexity:
208
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:
0
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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