2-(3-chloro-4-nitrophenyl)acetonitrile

2-(3-chloro-4-nitrophenyl)acetonitrile

CAS: 80199-01-5

Formula: C8H5ClN2O2

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

IUPAC: 2-(3-chloro-4-nitrophenyl)acetonitrile

InChI: InChI=1S/C8H5ClN2O2/c9-7-5-6(3-4-10)1-2-8(7)11(12)13/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	ZBSPKRVWNIIBSU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.47
Topological Polar Surface Area	66.93
Polarizability	17.71
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	80199-01-5		$1,760.00-$3,630.00$1,760.00$2,640.00$3,630.00