2-chloro-3,4-dimethoxybenzonitrile

2-chloro-3,4-dimethoxybenzonitrile

CAS: 119413-61-5

Formula: C9H8ClNO2

SMILES: COC1=C(OC)C(Cl)=C(C=C1)C#N

IUPAC: 2-chloro-3,4-dimethoxybenzonitrile

InChI: InChI=1S/C9H8ClNO2/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4H,1-2H3

Composition: C (54.70%), H (4.08%), Cl (17.94%), N (7.09%), O (16.19%)

Molar Mass: 197.62

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.0243562
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DVVLTABTKVOGCS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.51
Topological Polar Surface Area	42.25
Polarizability	19.14
Ring Count	1
Rotatable Bond Count	2

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Key Organics Ltd

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95%	<2 Days	119413-61-5		$51.35-$120.18$51.35$63.37$75.38$86.31$120.18

AA BLOCKS INC

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