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Home > Nitro Compounds > 86796-97-6
86796-97-6 | 1-Triazene, 1-methyl-3-(4-nitrophenyl)-, 1-oxide
CAS No: 86796-97-6 Catalog No: AG004N2R MDL No:
Product Description
Catalog Number:
AG004N2R
Chemical Name:
1-Triazene, 1-methyl-3-(4-nitrophenyl)-, 1-oxide
CAS Number:
86796-97-6
Molecular Formula:
C7H8N4O3
Molecular Weight:
196.1634
IUPAC Name:
methyl-[(4-nitrophenyl)hydrazinylidene]-oxidoazanium
InChI:
InChI=1S/C7H8N4O3/c1-10(12)9-8-6-2-4-7(5-3-6)11(13)14/h2-5,8H,1H3
InChI Key:
KYKCVWOGASAGPQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=NNc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.166g/mol
Monoisotopic Mass:
196.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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