4-Fluorophenyl methanesulfonate

CAT: 0127-PC907562-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC907562-01Size:250 mg

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CAS Number

72358-72-6

MDL Number

MFCD16036342

Purity

98%

Smiles

CS(=O)(=O)Oc1ccc(F)cc1

Chemical Information

4-Fluorophenyl methanesulfonate

CAS Number	72358-72-6
PubChem CID	10012729
IUPAC Name	(4-fluorophenyl) methanesulfonate
Molecular Formula	C7H7FO3S
Molecular Weight	190.19
XLogP	1.4
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	224

SMILES

CS(=O)(=O)OC1=CC=C(C=C1)F

InChI

InChI=1S/C7H7FO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3

InChIKey

KERGNBBIBYFCRB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72358-72-6

CID: 10012729

Formula: C7H7FO3S

MW: 190.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.19
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	190.00999342
Monoisotopic Mass	190.00999342
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	224
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
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OR1026064-01	4-Nitrobenzyl Methanesulfonate
PC430102	2- (2-Fluorophenyl) -3H-imidazo[4,5-c]pyridine methanesulfonate
OR1003427-01	4-Cyanophenyl methanesulfonate
OR1099381-01	4-nitrophenyl methanesulfonate
OR1021753	4-Oxocyclohexyl methanesulfonate
PC107472	4,4,4-Trifluorobutyl methanesulfonate
PC1001074	4- (4-Fluorophenyl) -3-fluorophenol
OR48102-01	Oxan-4-ylmethyl methanesulfonate
OR89810-01	Sodium (4-nitrophenyl) methanesulfonate

Catalog	Name
432487-01	4-Fluorophenyl methanesulfonate
sc-394367	4-chlorobutyl methanesulfonate
AR-B02310-01	4-hydroxybutyl methanesulfonate
KEA45820-01	4-Phenylcyclohexyl methanesulfonate
ZHC21488-01	4,4-Dimethylcyclohexyl methanesulfonate
HFA29195	Tetrahydropyran-4-ylmethyl methanesulfonate
RG-A261938-01	Piperidin-4-Ylmethyl Methanesulfonate
TRC-G368878-1G	4-Guanidinobenzoic Acid Methanesulfonate
016677	Trans-4-Methylcyclohexanol Methanesulfonate
MBA90393-01	4- (Trifluoromethyl) phenyl methanesulfonate