2-[(2,4-dimethoxyphenyl)amino]-5-nitrobenzonitrile

2-[(2,4-dimethoxyphenyl)amino]-5-nitrobenzonitrile

CAS: 945299-20-7

Formula: C15H13N3O4

SMILES: COC1=CC(OC)=C(NC2=C(C=C(C=C2)[N+]([O-])=O)C#N)C=C1

IUPAC: 2-[(2,4-dimethoxyphenyl)amino]-5-nitrobenzonitrile

InChI: InChI=1S/C15H13N3O4/c1-21-12-4-6-14(15(8-12)22-2)17-13-5-3-11(18(19)20)7-10(13)9-16/h3-8,17H,1-2H3

Composition: C (60.20%), H (4.38%), N (14.04%), O (21.38%)

Molar Mass: 299.286

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	299.090605911
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	SAGBSDVXSDAQFQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.51
Topological Polar Surface Area	97.42
Polarizability	29.83
Ring Count	2
Rotatable Bond Count	5

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