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4-{[(4-ethoxyphenyl)methylidene]amino}benzonitrile

4-{[(4-ethoxyphenyl)methylidene]amino}benzonitrile

CAS: 24742-30-1

Formula: C16H14N2O

SMILES: CCOC1=CC=C(C=NC2=CC=C(C=C2)C#N)C=C1

IUPAC: 4-{[(4-ethoxyphenyl)methylidene]amino}benzonitrile

InChI: InChI=1S/C16H14N2O/c1-2-19-16-9-5-14(6-10-16)12-18-15-7-3-13(11-17)4-8-15/h3-10,12H,2H2,1H3

Composition: C (76.78%), H (5.64%), N (11.19%), O (6.39%)

Molar Mass: 250.301

Atom Count: 33

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 250.110613079
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YFZISFITJTVAET-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.32
Topological Polar Surface Area 45.38
Polarizability 28.66
Ring Count 2
Rotatable Bond Count 4

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