4-Chlorophenyl chloranesulfonate

CAT: 0926-HBA11786-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-HBA11786-01Size:50 mg

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CAS Number

32117-86-5

MDL Number

MFCD19200150

Smiles

C1=CC (=CC=C1OS (=O) (=O) Cl) Cl

Molecular Formula

C6H4Cl2O3S

Molecular Weight

227.06 g/mol

Controlled

Chemical Information

4-Chlorophenyl chloranesulfonate

CAS Number	32117-86-5
PubChem CID	12741185
IUPAC Name	1-chloro-4-chlorosulfonyloxybenzene
Molecular Formula	C6H4Cl2O3S
Molecular Weight	227.06
XLogP	2.9
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	226

SMILES

C1=CC(=CC=C1OS(=O)(=O)Cl)Cl

InChI

InChI=1S/C6H4Cl2O3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H

InChIKey

BKVUMYOQSQOQMN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32117-86-5

CID: 12741185

Formula: C6H4Cl2O3S

MW: 227.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.06
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	225.9258205
Monoisotopic Mass	225.9258205
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	226
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
BDA71166-01	2,2-Difluoroethyl chloranesulfonate
TBA17149-01	(2-Chlorophenyl) (4-chlorophenyl) methanol
BDB21244-01	(3-Chlorophenyl) (4-chlorophenyl) methanamine
HAA49866-01	(3-Chlorophenyl) (4-chlorophenyl) methanone
IDC67658-01	(2-Chlorophenyl) (4-chlorophenyl) methanamine hydrochloride
FC61055-01	4-Chlorophenyl phosphorodichloridate
HAA69345-01	4-Chlorophenyl Chloroformate
GAA92289-01	(4-Chlorophenyl) diphenylmethanol
FC00211-01	4-Chlorophenyl isocyanate
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine

Catalog	Name
OR1095465	(3-Chlorophenyl) (4-chlorophenyl) methanone
TRC-C613733-1G	(2-Chlorophenyl)(4-chlorophenyl)methanol
OR470552	(4-Bromo-2-chlorophenyl) (4-chlorophenyl) methanone
sc-305104A	2- (3-Chlorophenyl) -4- (4-chlorophenyl) -4-oxobutanoic acid
TRC-C377800-50MG	4-(4-Chlorophenyl)cyclohexanone
OR1046452-01	4- (4-Chlorophenyl) cyclohexanol
OR1069735-01	4- (4-Chlorophenyl) cyclohexanone
OR924168-01	4- (4-Chlorophenyl) morpholine
OR8735-01	4- (4-Chlorophenyl) piperidine
429097-01	4- (4-Chlorophenyl) benzonitrile