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Home > Nitro Compounds > 29418-59-5
29418-59-5 | Diazene, 1-(4-methoxyphenyl)-2-(4-nitrophenyl)-
CAS No: 29418-59-5 Catalog No: AG002YB9 MDL No:
Product Description
Catalog Number:
AG002YB9
Chemical Name:
Diazene, 1-(4-methoxyphenyl)-2-(4-nitrophenyl)-
CAS Number:
29418-59-5
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
(4-methoxyphenyl)-(4-nitrophenyl)diazene
InChI:
InChI=1S/C13H11N3O3/c1-19-13-8-4-11(5-9-13)15-14-10-2-6-12(7-3-10)16(17)18/h2-9H,1H3
InChI Key:
CHGPHWNJICZVNY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
NSC Number:
86534
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| (E)-(4-hydroxyphenyl)(4-nitrophenyl)diazene, (E)-(4-methoxyphenyl)(4-nitrophenyl)diazene and (E)-[4-(6-bromohexyloxy)phenyl](4-cyanophenyl)diazene. | Acta crystallographica. Section C, Crystal structure communications 20021001 |
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