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2-(2-Fluorophenyl)-2-(methylamino)-cyclohexanone Hydrochloride

CAT: 0572-TRC-F532350-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F532350-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111982-49-1
Synonyms
2-FDCK
Hazard Statement
Harmful if swallowed.
Smiles
O=C1CCCCC1(C2=C(F)C=CC=C2)NC.Cl
Molecular Formula
C13 H16 F N O . H Cl
Molecular Weight
257.7
InChI
InChI=1S/C13H16FNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H
Additionnal Information
IUPAC name: 2-(2-fluorophenyl)-2-(methylamino)-cyclohexanone, monohydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Fluoro Deschloroketamine hydrochloride
CAS Number111982-49-1
PubChem CID13771619
IUPAC Name2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
Molecular FormulaC13H17ClFNO
Molecular Weight257.73
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity269
SMILES
CNC1(CCCCC1=O)C2=CC=CC=C2F.Cl
InChI
InChI=1S/C13H16FNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H
InChIKey
FQOFLBNEXJTBJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro Deschloroketamine hydrochloride
CAS: 111982-49-1
CID: 13771619
Formula: C13H17ClFNO
MW: 257.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass257.0982700
Monoisotopic Mass257.0982700
Topological Polar Surface Area29.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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