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Home > Nitro Compounds > 873948-40-4
873948-40-4 | Diazene, (4-nitrophenyl)[4-(octyloxy)phenyl]-, (1Z)-
CAS No: 873948-40-4 Catalog No: AG004NPI MDL No:
Product Description
Catalog Number:
AG004NPI
Chemical Name:
Diazene, (4-nitrophenyl)[4-(octyloxy)phenyl]-, (1Z)-
CAS Number:
873948-40-4
Molecular Formula:
C20H25N3O3
Molecular Weight:
355.4308
IUPAC Name:
(4-nitrophenyl)-(4-octoxyphenyl)diazene
InChI:
InChI=1S/C20H25N3O3/c1-2-3-4-5-6-7-16-26-20-14-10-18(11-15-20)22-21-17-8-12-19(13-9-17)23(24)25/h8-15H,2-7,16H2,1H3
InChI Key:
HAGROIAFXLPJTB-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)/N=N\c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.19g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.438g/mol
Monoisotopic Mass:
355.19g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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