2-[(3,5-dimethylphenyl)amino]-5-nitrobenzonitrile

2-[(3,5-dimethylphenyl)amino]-5-nitrobenzonitrile

CAS: 876556-20-6

Formula: C15H13N3O2

SMILES: CC1=CC(NC2=C(C=C(C=C2)[N+]([O-])=O)C#N)=CC(C)=C1

IUPAC: 2-[(3,5-dimethylphenyl)amino]-5-nitrobenzonitrile

InChI: InChI=1S/C15H13N3O2/c1-10-5-11(2)7-13(6-10)17-15-4-3-14(18(19)20)8-12(15)9-16/h3-8,17H,1-2H3

Composition: C (67.40%), H (4.90%), N (15.72%), O (11.97%)

Molar Mass: 267.288

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	267.100776671
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XGQYXWMGUBNOQL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.67
Topological Polar Surface Area	78.96
Polarizability	28.28
Ring Count	2
Rotatable Bond Count	3

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