2-chloro-3,5-dinitrobenzonitrile

2-chloro-3,5-dinitrobenzonitrile

Formula: C7H2ClN3O4

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

IUPAC: 2-chloro-3,5-dinitrobenzonitrile

InChI: InChI=1S/C7H2ClN3O4/c8-7-4(3-9)1-5(10(12)13)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	GXBZQHWSOAJTLZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.23
Topological Polar Surface Area	110.07
Polarizability	18.14
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C7H2ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00