2-(5-chloro-2-nitrophenyl)acetonitrile

2-(5-chloro-2-nitrophenyl)acetonitrile

CAS: 72301-65-6

Formula: C8H5ClN2O2

SMILES: [O-][N+](=O)C1=CC=C(Cl)C=C1CC#N

IUPAC: 2-(5-chloro-2-nitrophenyl)acetonitrile

InChI: InChI=1S/C8H5ClN2O2/c9-7-1-2-8(11(12)13)6(5-7)3-4-10/h1-2,5H,3H2

Composition: C (48.88%), H (2.56%), Cl (18.03%), N (14.25%), O (16.28%)

Molar Mass: 196.59

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.0039551
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RSTBSJBPGRATIV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.47
Topological Polar Surface Area	66.93
Polarizability	17.69
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	72301-65-6		$214.25-$461.61$214.25$461.61