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189498-09-7 | Benzonitrile, 4-[2-[4-[(9-bromononyl)oxy]phenyl]diazenyl]-
CAS No: 189498-09-7 Catalog No: AG002DP7 MDL No:
Product Description
Catalog Number:
AG002DP7
Chemical Name:
Benzonitrile, 4-[2-[4-[(9-bromononyl)oxy]phenyl]diazenyl]-
CAS Number:
189498-09-7
Molecular Formula:
C22H26BrN3O
Molecular Weight:
428.3653
IUPAC Name:
4-[[4-(9-bromononoxy)phenyl]diazenyl]benzonitrile
InChI:
InChI=1S/C22H26BrN3O/c23-16-6-4-2-1-3-5-7-17-27-22-14-12-21(13-15-22)26-25-20-10-8-19(18-24)9-11-20/h8-15H,1-7,16-17H2
InChI Key:
ARFTVALWAYQLDE-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCOc1ccc(cc1)N=Nc1ccc(cc1)C#N
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.126g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.374g/mol
Monoisotopic Mass:
427.126g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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