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4'-Cyanobenzylidene-4-ethoxyaniline, 98%

Catalog Number
ACM34128024-1
CAS Number
34128-02-4
Product Name
4'-Cyanobenzylidene-4-ethoxyaniline, 98%
Structure
Category
Liquid Crystal (LC) Materials
IUPAC Name
4-[(4-ethoxyphenyl)iminomethyl]benzonitrile
Molecular Weight
250.29g/mol
Molecular Formula
C16H14N2O
Canonical SMILES
CCOC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H14N2O/c1-2-19-16-9-7-15(8-10-16)18-12-14-5-3-13(11-17)4-6-14/h3-10,12H,2H2,1H3
InChI Key
WTTZYFPFXIZAOS-UHFFFAOYSA-N
Complexity
328
Covalently-Bonded Unit Count
1
Exact Mass
250.110613g/mol
Formal Charge
0
Heavy Atom Count
19
Monoisotopic Mass
250.110613g/mol
Rotatable Bond Count
4
XLogP3
3.3
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