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(4-chloro-3-methylphenyl)methanesulfonyl chloride

(4-chloro-3-methylphenyl)methanesulfonyl chloride

CAS: 1522115-36-1

Formula: C8H8Cl2O2S

SMILES: CC1=CC(CS(Cl)(=O)=O)=CC=C1Cl

IUPAC: (4-chloro-3-methylphenyl)methanesulfonyl chloride

InChI: InChI=1S/C8H8Cl2O2S/c1-6-4-7(2-3-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3

Composition: C (40.19%), H (3.37%), Cl (29.65%), O (13.38%), S (13.41%)

Molar Mass: 239.11

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.9622061
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OIWQZLQYWYCVCP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.69
Topological Polar Surface Area 34.14
Polarizability 21.95
Ring Count 1
Rotatable Bond Count 2

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