4-chloro-3,5-dinitrobenzonitrile

4-chloro-3,5-dinitrobenzonitrile

CAS: 1930-72-9

Formula: C7H2ClN3O4

SMILES: [O-][N+](=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)C#N

IUPAC: 4-chloro-3,5-dinitrobenzonitrile

InChI: InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H

Composition: C (36.95%), H (0.89%), Cl (15.58%), N (18.47%), O (28.12%)

Molar Mass: 227.56

Atom Count: 17

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.9733833
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	SCGDEDHSPCXGEC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.23
Topological Polar Surface Area	110.07
Polarizability	18.16
Ring Count	1
Rotatable Bond Count	2

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