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Home > Nitro Compounds > 145429-88-5
145429-88-5 | Diazene, 1-(4-butoxyphenyl)-2-(4-nitrophenyl)-, (1E)-
CAS No: 145429-88-5 Catalog No: AG001D1J MDL No:
Product Description
Catalog Number:
AG001D1J
Chemical Name:
Diazene, 1-(4-butoxyphenyl)-2-(4-nitrophenyl)-, (1E)-
CAS Number:
145429-88-5
Molecular Formula:
C16H17N3O3
Molecular Weight:
299.3245
IUPAC Name:
(4-butoxyphenyl)-(4-nitrophenyl)diazene
InChI:
InChI=1S/C16H17N3O3/c1-2-3-12-22-16-10-6-14(7-11-16)18-17-13-4-8-15(9-5-13)19(20)21/h4-11H,2-3,12H2,1H3
InChI Key:
LZFXYBCFWJYLGF-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.33g/mol
Monoisotopic Mass:
299.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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