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Home > Nitro Compounds > 176681-76-8
176681-76-8 | Diazene, 1-[4-[(2-ethylhexyl)oxy]-2,5-dimethylphenyl]-2-(4-nitrophenyl)-
CAS No: 176681-76-8 Catalog No: AG0024TJ MDL No:
Product Description
Catalog Number:
AG0024TJ
Chemical Name:
Diazene, 1-[4-[(2-ethylhexyl)oxy]-2,5-dimethylphenyl]-2-(4-nitrophenyl)-
CAS Number:
176681-76-8
Molecular Formula:
C22H29N3O3
Molecular Weight:
383.4840
IUPAC Name:
[4-(2-ethylhexoxy)-2,5-dimethylphenyl]-(4-nitrophenyl)diazene
InChI:
InChI=1S/C22H29N3O3/c1-5-7-8-18(6-2)15-28-22-14-16(3)21(13-17(22)4)24-23-19-9-11-20(12-10-19)25(26)27/h9-14,18H,5-8,15H2,1-4H3
InChI Key:
GCHWVQAMRPCYJH-UHFFFAOYSA-N
SMILES:
CCCCC(COc1cc(C)c(cc1C)N=Nc1ccc(cc1)[N+](=O)[O-])CC
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.221g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.492g/mol
Monoisotopic Mass:
383.221g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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