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175171-70-7 | Diazene, 1-[4-[(6-bromohexyl)oxy]phenyl]-2-(4-butylphenyl)-, (1E)-
CAS No: 175171-70-7 Catalog No: AG0020DJ MDL No:
Product Description
Catalog Number:
AG0020DJ
Chemical Name:
Diazene, 1-[4-[(6-bromohexyl)oxy]phenyl]-2-(4-butylphenyl)-, (1E)-
CAS Number:
175171-70-7
Molecular Formula:
C22H29BrN2O
Molecular Weight:
417.3825
IUPAC Name:
[4-(6-bromohexoxy)phenyl]-(4-butylphenyl)diazene
InChI:
InChI=1S/C22H29BrN2O/c1-2-3-8-19-9-11-20(12-10-19)24-25-21-13-15-22(16-14-21)26-18-7-5-4-6-17-23/h9-16H,2-8,17-18H2,1H3
InChI Key:
MFBCFLVDAKRKOA-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)/N=N/c1ccc(cc1)OCCCCCCBr
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.146g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.391g/mol
Monoisotopic Mass:
416.146g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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