3-Chlorophenyl methyl sulfone

CAT: 0127-OR921141Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR921141Size:1 g

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CAS Number

21383-00-6

MDL Number

MFCD00474659

Purity

95%

Smiles

CS(=O)(=O)c1cccc(Cl)c1

Chemical Information

3-Chlorophenyl Methyl Sulfone

CAS Number	21383-00-6
PubChem CID	2757823
IUPAC Name	1-chloro-3-methylsulfonylbenzene
Molecular Formula	C7H7ClO2S
Molecular Weight	190.65
XLogP	2
Topological Polar Surface Area	42.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	217

SMILES

CS(=O)(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3

InChIKey

BWPZAUWSFKCBNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21383-00-6

CID: 2757823

Formula: C7H7ClO2S

MW: 190.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.65
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.9855283
Monoisotopic Mass	189.9855283
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1090467-01	(3- (benzyloxy) -5-chlorophenyl) (methyl) sulfane
OR1085934	(3-bromo-4-chlorophenyl) (methyl) sulfane
OR1085584-01	(2-bromo-3-chlorophenyl) (methyl) sulfane
OR957029	[ (3-chlorophenyl) methyl]dimethylamine
OR33374	[ (3-Chlorophenyl) methyl]urea
OR95514-01	Methyl (3-chlorophenyl) carbamate
OR955761	Methyl 3- (3-chlorophenyl) propanoate
OR922988-01	Isopropyl methyl sulfone
OR936735-01	Ethyl methyl sulfone
OR6950-01	2-Chlorophenyl methyl sulphone

Catalog	Name
sc-225318	2-Chlorophenyl methyl sulfone
270243-01	4-Chlorophenyl methyl sulfone
230228-01	2-Chlorophenyl methyl sulfone 99+% (HPLC)
233087-01	4-Chlorophenyl methyl sulfone ≥98.5%
sc-209555	3-Bromophenyl-methyl Sulfone
461566	Omeprazole Sulfone 3-Methyl Acetate
sc-472917	3-Amino-4-hydroxyphenyl methyl sulfone
270245-01	4-Chloro-3-nitrophenyl methyl sulfone
280812-01	Isocyano (3-methoxyphenyl) methyl-4-methylphenyl sulfone
231569-01	3-Amino-4-hydroxyphenyl methyl sulfone 98+%