4-chloro-3-methylphenyl methanesulfonate

4-chloro-3-methylphenyl methanesulfonate

CAS: 90555-52-5

Formula: C8H9ClO3S

SMILES: CC1=CC(OS(C)(=O)=O)=CC=C1Cl

IUPAC: 4-chloro-3-methylphenyl methanesulfonate

InChI: InChI=1S/C8H9ClO3S/c1-6-5-7(3-4-8(6)9)12-13(2,10)11/h3-5H,1-2H3

Composition: C (43.54%), H (4.11%), Cl (16.06%), O (21.75%), S (14.53%)

Molar Mass: 220.67

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.996093
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MLGDKWFNPBAIPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.64
Topological Polar Surface Area	43.37
Polarizability	20.72
Ring Count	1
Rotatable Bond Count	2

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