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Home > Nitro Compounds > 89773-96-6
89773-96-6 | 2,4-Cyclohexadien-1-imine, 6-diazo-N-nitro-
CAS No: 89773-96-6 Catalog No: AG0040IC MDL No:
Product Description
Catalog Number:
AG0040IC
Chemical Name:
2,4-Cyclohexadien-1-imine, 6-diazo-N-nitro-
CAS Number:
89773-96-6
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
IUPAC Name:
N-(6-diazocyclohexa-2,4-dien-1-ylidene)nitramide
InChI:
InChI=1S/C6H4N4O2/c7-8-5-3-1-2-4-6(5)9-10(11)12/h1-4H
InChI Key:
HARCDFRDEUREIM-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=CC=CC1=N[N+](=O)[O-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
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