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2- (2-Fluorophenoxy) cyclohexan-1-amine hydrochloride

CAT: 0926-GCC60332-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-GCC60332-02Size:0.5 g
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CAS Number
1306603-32-6
MDL Number
MFCD18838747
Smiles
C1CCC (C (C1) N) OC2=CC=CC=C2F.Cl
Molecular Formula
C12H17ClFNO
Molecular Weight
245.72 g/mol
Controlled
No

Chemical Information

2-(2-Fluorophenoxy)cyclohexan-1-amine hydrochloride
CAS Number1306603-32-6
PubChem CID54593069
IUPAC Name2-(2-fluorophenoxy)cyclohexan-1-amine;hydrochloride
Molecular FormulaC12H17ClFNO
Molecular Weight245.72
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity200
SMILES
C1CCC(C(C1)N)OC2=CC=CC=C2F.Cl
InChI
InChI=1S/C12H16FNO.ClH/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;/h1,3,5,7,10,12H,2,4,6,8,14H2;1H
InChIKey
BDUKXRXPOVMWAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Fluorophenoxy)cyclohexan-1-amine hydrochloride
CAS: 1306603-32-6
CID: 54593069
Formula: C12H17ClFNO
MW: 245.72
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight245.72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass245.0982700
Monoisotopic Mass245.0982700
Topological Polar Surface Area35.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes