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1-chloro-4-chloromethanesulfonylbenzene

1-chloro-4-chloromethanesulfonylbenzene

CAS: 5943-04-4

Formula: C7H6Cl2O2S

SMILES: ClCS(=O)(=O)C1=CC=C(Cl)C=C1

IUPAC: 1-chloro-4-chloromethanesulfonylbenzene

InChI: InChI=1S/C7H6Cl2O2S/c8-5-12(10,11)7-3-1-6(9)2-4-7/h1-4H,5H2

Composition: C (37.35%), H (2.69%), Cl (31.50%), O (14.22%), S (14.24%)

Molar Mass: 225.08

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 223.946556
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SAOGOJANGOKVRG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.96
Topological Polar Surface Area 34.14
Polarizability 20.13
Ring Count 1
Rotatable Bond Count 2

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 5943-04-4 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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