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Diethyl Azoxybenzene-4,4'-dicarboxylate

Catalog Number
ACM6421041-1
Product Name
Diethyl Azoxybenzene-4,4'-dicarboxylate
Structure
CAS
6421-04-1
Category
Liquid Crystal (LC) Building Blocks
Synonyms
Azoxybenzene-4,4'-dicarboxylic Acid Diethyl Ester
IUPAC Name
(4-ethoxycarbonylphenyl)-(4-ethoxycarbonylphenyl)imino-oxidoazanium
Molecular Weight
342.35
Molecular Formula
C18H18N2O5
Canonical SMILES
CCOC(=O)C1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)C(=O)OCC)[O-]
InChI
InChI=1S/C18H18N2O5/c1-3-24-17(21)13-5-9-15(10-6-13)19-20(23)16-11-7-14(8-12-16)18(22)25-4-2/h5-12H,3-4H2,1-2H3
InChI Key
LOOVRYZFUGHEMF-UHFFFAOYSA-N
Melting Point
97-130 ºC
Purity
97%+
Appearance
Light orange to Yellow to Green powder to crystal
Complexity
478
Covalently-Bonded Unit Count
1
EC Number
229-169-0
Exact Mass
342.121572g/mol
Formal Charge
0
Heavy Atom Count
25
MDL Number
MFCD00053758
Monoisotopic Mass
342.121572g/mol
NSC Number
680513;401032
Rotatable Bond Count
8
XLogP3
3.6
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