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3-chloro-5-cyanobenzenesulfonyl chloride

3-chloro-5-cyanobenzenesulfonyl chloride

CAS: 1131397-77-7

Formula: C7H3Cl2NO2S

SMILES: ClC1=CC(=CC(=C1)C#N)S(Cl)(=O)=O

IUPAC: 3-chloro-5-cyanobenzene-1-sulfonyl chloride

InChI: InChI=1S/C7H3Cl2NO2S/c8-6-1-5(4-10)2-7(3-6)13(9,11)12/h1-3H

Composition: C (35.62%), H (1.28%), Cl (30.03%), N (5.93%), O (13.55%), S (13.58%)

Molar Mass: 236.07

Atom Count: 16

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 234.9261549
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey NNCVCCCUFMTMRO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.78
Topological Polar Surface Area 57.93
Polarizability 20.23
Ring Count 1
Rotatable Bond Count 1

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