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Home > Nitro Compounds > 87837-70-5
87837-70-5 | Diazene, 1,1'-(1-cyclohexene-1,2-diyl)bis[2-(4-nitrophenyl)-
CAS No: 87837-70-5 Catalog No: AG004ENK MDL No:
Product Description
Catalog Number:
AG004ENK
Chemical Name:
Diazene, 1,1'-(1-cyclohexene-1,2-diyl)bis[2-(4-nitrophenyl)-
CAS Number:
87837-70-5
Molecular Formula:
C18H16N6O4
Molecular Weight:
380.3574
IUPAC Name:
(4-nitrophenyl)-[2-[(4-nitrophenyl)diazenyl]cyclohexen-1-yl]diazene
InChI:
InChI=1S/C18H16N6O4/c25-23(26)15-9-5-13(6-10-15)19-21-17-3-1-2-4-18(17)22-20-14-7-11-16(12-8-14)24(27)28/h5-12H,1-4H2
InChI Key:
NBZQHBVQMWFJRQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N=NC1=C(CCCC1)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.123g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.364g/mol
Monoisotopic Mass:
380.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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