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Home > Nitro Compounds > 145429-89-6
145429-89-6 | Diazene, (4-nitrophenyl)[4-(pentyloxy)phenyl]-, (E)- (9CI)
CAS No: 145429-89-6 Catalog No: AG001D1I MDL No:
Product Description
Catalog Number:
AG001D1I
Chemical Name:
Diazene, (4-nitrophenyl)[4-(pentyloxy)phenyl]-, (E)- (9CI)
CAS Number:
145429-89-6
Molecular Formula:
C17H19N3O3
Molecular Weight:
313.3511
IUPAC Name:
(4-nitrophenyl)-(4-pentoxyphenyl)diazene
InChI:
InChI=1S/C17H19N3O3/c1-2-3-4-13-23-17-11-7-15(8-12-17)19-18-14-5-9-16(10-6-14)20(21)22/h5-12H,2-4,13H2,1H3
InChI Key:
KGCBRPOOLUQQSX-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.357g/mol
Monoisotopic Mass:
313.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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