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2-chloro-4,6-dimethoxybenzonitrile

2-chloro-4,6-dimethoxybenzonitrile

Formula: C9H8ClNO2

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

IUPAC: 2-chloro-4,6-dimethoxybenzonitrile

InChI: InChI=1S/C9H8ClNO2/c1-12-6-3-8(10)7(5-11)9(4-6)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 VZYHHQKYWQOFIT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.51
Topological Polar Surface Area 42.25
Polarizability 19.13
Ring Count 1
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H8ClNO2 $1,760.00-$3,190.00$1,760.00$2,508.00$3,190.00
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