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4,4'-Bis(hexyloxy)azoxybenzene

Catalog Number
ACM2587420-1
CAS Number
2587-42-0
Product Name
4,4'-Bis(hexyloxy)azoxybenzene
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
Synonyms
4,4'-Dihexyloxyazoxybenzene
IUPAC Name
(4-hexoxyphenyl)-(4-hexoxyphenyl)imino-oxidoazanium
Molecular Weight
398.55
Molecular Formula
C24H34N2O3
Canonical SMILES
CCCCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCCCC)[O-]
InChI
InChI=1S/C24H34N2O3/c1-3-5-7-9-19-28-23-15-11-21(12-16-23)25-26(27)22-13-17-24(18-14-22)29-20-10-8-6-4-2/h11-18H,3-10,19-20H2,1-2H3
InChI Key
GWRSINRMEBHRIO-UHFFFAOYSA-N
Purity
96%+
Appearance
Light yellow to Yellow to Orange powder to crystal
Complexity
428
Covalently-Bonded Unit Count
1
Exact Mass
398.256943g/mol
Formal Charge
0
Heavy Atom Count
29
MDL Number
MFCD00043672
Monoisotopic Mass
398.256943g/mol
NSC Number
127558
Rotatable Bond Count
14
XLogP3
7.8
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