2-ethoxy-5-nitrobenzonitrile

2-ethoxy-5-nitrobenzonitrile

CAS: 29669-41-8

Formula: C9H8N2O3

SMILES: CCOC1=C(C=C(C=C1)[N+]([O-])=O)C#N

IUPAC: 2-ethoxy-5-nitrobenzonitrile

InChI: InChI=1S/C9H8N2O3/c1-2-14-9-4-3-8(11(12)13)5-7(9)6-10/h3-5H,2H2,1H3

Composition: C (56.25%), H (4.20%), N (14.58%), O (24.98%)

Molar Mass: 192.174

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.053492126
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QNHGKWZNRFNTDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.31
Topological Polar Surface Area	76.16
Polarizability	18.44
Ring Count	1
Rotatable Bond Count	3

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