3-(4-methylphenoxy)benzene-1,2-dicarbonitrile

3-(4-methylphenoxy)benzene-1,2-dicarbonitrile

CAS: 116965-13-0

Formula: C15H10N2O

SMILES: CC1=CC=C(OC2=C(C#N)C(=CC=C2)C#N)C=C1

IUPAC: 3-(4-methylphenoxy)benzene-1,2-dicarbonitrile

InChI: InChI=1S/C15H10N2O/c1-11-5-7-13(8-6-11)18-15-4-2-3-12(9-16)14(15)10-17/h2-8H,1H3

Composition: C (76.91%), H (4.30%), N (11.96%), O (6.83%)

Molar Mass: 234.258

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	234.07931295
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XJERBWBJRZDWHE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.78
Topological Polar Surface Area	56.81
Polarizability	26.09
Ring Count	2
Rotatable Bond Count	2

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