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4,4'-Di-n-octyloxyazoxybenzene, ≥97%

Catalog Number
ACM25729128-2
CAS Number
25729-12-8
Product Name
4,4'-Di-n-octyloxyazoxybenzene, ≥97%
Structure
Category
Liquid Crystal (LC) Materials
IUPAC Name
(4-octoxyphenyl)-(4-octoxyphenyl)imino-oxidoazanium
Molecular Weight
454.6g/mol
Molecular Formula
C28H42N2O3
Canonical SMILES
CCCCCCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCCCCCC)[O-]
InChI
InChI=1S/C28H42N2O3/c1-3-5-7-9-11-13-23-32-27-19-15-25(16-20-27)29-30(31)26-17-21-28(22-18-26)33-24-14-12-10-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3
InChI Key
LMDKWWQEAJSHLR-UHFFFAOYSA-N
Complexity
484
Covalently-Bonded Unit Count
1
Exact Mass
454.319543g/mol
Formal Charge
0
Heavy Atom Count
33
Monoisotopic Mass
454.319543g/mol
Rotatable Bond Count
18
XLogP3
9.9
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