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4'-Butoxybenzylidene-4-cyanoaniline, 98%

Catalog Number
ACM36405171-2
Product Name
4'-Butoxybenzylidene-4-cyanoaniline, 98%
Structure
CAS
36405-17-1
Category
Liquid Crystal (LC) Materials
IUPAC Name
4-[(4-butoxyphenyl)methylideneamino]benzonitrile
Molecular Weight
278.3g/mol
Molecular Formula
C18H18N2O
Canonical SMILES
CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H18N2O/c1-2-3-12-21-18-10-6-16(7-11-18)14-20-17-8-4-15(13-19)5-9-17/h4-11,14H,2-3,12H2,1H3
InChI Key
JWLPZJPDDBBWQD-UHFFFAOYSA-N
Complexity
355
Covalently-Bonded Unit Count
1
EC Number
253-018-8
Exact Mass
278.141913g/mol
Formal Charge
0
Heavy Atom Count
21
Monoisotopic Mass
278.141913g/mol
Rotatable Bond Count
6
XLogP3
4.2
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