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2-Fluoroethanol tosylate

CAT: 0024-sc-397500Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-397500Size:1 g
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CAS Number
383-50-6

Chemical Information

2-Fluoroethyl p-Toluenesulfonate
CAS Number383-50-6
PubChem CID256019
IUPAC Name2-fluoroethyl 4-methylbenzenesulfonate
Molecular FormulaC9H11FO3S
Molecular Weight218.25
XLogP1.8
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity250
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCF
InChI
InChI=1S/C9H11FO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
InChIKey
XNRDLSNSMTUXBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoroethyl p-Toluenesulfonate
CAS: 383-50-6
CID: 256019
Formula: C9H11FO3S
MW: 218.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.25
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass218.04129354
Monoisotopic Mass218.04129354
Topological Polar Surface Area51.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FF29461-012-Fluoroethyl tosylate
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MBS5820722VMAT2-IN-2 tosylate
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TRC-T790230-50G2,2,2-Trifluoroethyl Tosylate
RM-S180628-01Sorafenib Tosylate Impurity 2
TRC-B809836-100MG2-tert-Butyldimethylsilyloxyethyl Tosylate
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