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76018-79-6 | Benzonitrile, 4-[[4-(dodecyloxy)phenyl]azo]-
CAS No: 76018-79-6 Catalog No: AG0058FH MDL No:
Product Description
Catalog Number:
AG0058FH
Chemical Name:
Benzonitrile, 4-[[4-(dodecyloxy)phenyl]azo]-
CAS Number:
76018-79-6
Molecular Formula:
C25H33N3O
Molecular Weight:
391.5490
IUPAC Name:
4-[(4-dodecoxyphenyl)diazenyl]benzonitrile
InChI:
InChI=1S/C25H33N3O/c1-2-3-4-5-6-7-8-9-10-11-20-29-25-18-16-24(17-19-25)28-27-23-14-12-22(21-26)13-15-23/h12-19H,2-11,20H2,1H3
InChI Key:
HOTUQQLGXJNZIV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)C#N
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.262g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.559g/mol
Monoisotopic Mass:
391.262g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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