4-(4-aminophenoxy)benzene-1,2-dicarbonitrile

4-(4-aminophenoxy)benzene-1,2-dicarbonitrile

CAS: 189691-53-0

Formula: C14H9N3O

SMILES: NC1=CC=C(OC2=CC=C(C#N)C(=C2)C#N)C=C1

IUPAC: 4-(4-aminophenoxy)benzene-1,2-dicarbonitrile

InChI: InChI=1S/C14H9N3O/c15-8-10-1-4-14(7-11(10)9-16)18-13-5-2-12(17)3-6-13/h1-7H,17H2

Composition: C (71.48%), H (3.86%), N (17.86%), O (6.80%)

Molar Mass: 235.246

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	235.074561922
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VBCXQKMINMOFDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.44
Topological Polar Surface Area	82.83
Polarizability	25.46
Ring Count	2
Rotatable Bond Count	2

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