5-nitro-2-[(4-phenoxyphenyl)amino]benzonitrile

5-nitro-2-[(4-phenoxyphenyl)amino]benzonitrile

CAS: 945367-55-5

Formula: C19H13N3O3

SMILES: [O-][N+](=O)C1=CC(C#N)=C(NC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1

IUPAC: 5-nitro-2-[(4-phenoxyphenyl)amino]benzonitrile

InChI: InChI=1S/C19H13N3O3/c20-13-14-12-16(22(23)24)8-11-19(14)21-15-6-9-18(10-7-15)25-17-4-2-1-3-5-17/h1-12,21H

Composition: C (68.88%), H (3.95%), N (12.68%), O (14.49%)

Molar Mass: 331.331

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	331.095691291
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UUUDRVZQOIBAER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.83
Topological Polar Surface Area	88.19
Polarizability	35.07
Ring Count	3
Rotatable Bond Count	5

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