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trans-2-(Chloromethyl)cyclohexanemethanol Mesylate

CAT: 0572-TRC-C371105-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C371105-100MGSize:100 mg
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CAS Number
2741118-78-3
Synonyms
((1R,2R)-2-(Chloromethyl)cyclohexyl)methyl Methanesulfonate
Hazard Statement
No Data Available
Smiles
CS(OC[C@H]1[C@@H](CCCC1)CCl)(=O)=O
Molecular Formula
C9H17ClO3S
Molecular Weight
240.74
InChI
InChI=1S/C9H17ClO3S/c1-14(11,12)13-7-9-5-3-2-4-8(9)6-10/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
Additionnal Information
IUPAC name: ((1R,2R)-2-(Chloromethyl)cyclohexyl)methyl Methanesulfonate
Shipping Conditions
Room Temperature

Chemical Information

trans-2-(Chloromethyl)cyclohexanemethanol Mesylate
CAS Number2741118-78-3
PubChem CID125282240
IUPAC Name[(1R,2R)-2-(chloromethyl)cyclohexyl]methyl methanesulfonate
Molecular FormulaC9H17ClO3S
Molecular Weight240.75
XLogP2.3
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity258
SMILES
CS(=O)(=O)OC[C@@H]1CCCC[C@H]1CCl
InChI
InChI=1S/C9H17ClO3S/c1-14(11,12)13-7-9-5-3-2-4-8(9)6-10/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
InChIKey
VTIPDOCBKBNXFB-IUCAKERBSA-N
Chemical Structure
2D Structure
2D structure of trans-2-(Chloromethyl)cyclohexanemethanol Mesylate
CAS: 2741118-78-3
CID: 125282240
Formula: C9H17ClO3S
MW: 240.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.75
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass240.0586933
Monoisotopic Mass240.0586933
Topological Polar Surface Area51.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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