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2- (4-Chlorophenyl) -2-methylmorpholine

CAT: 0127-OR1034063-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1034063-02Size:250 mg
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CAS Number
109461-44-1
Purity
98%
Smiles
CC1(CNCCO1)C2=CC=C(C=C2)Cl

Chemical Information

2-(4-Chlorophenyl)-2-methylmorpholine
CAS Number109461-44-1
PubChem CID3066043
IUPAC Name2-(4-chlorophenyl)-2-methylmorpholine
Molecular FormulaC11H14ClNO
Molecular Weight211.69
XLogP1.8
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity192
SMILES
CC1(CNCCO1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H14ClNO/c1-11(8-13-6-7-14-11)9-2-4-10(12)5-3-9/h2-5,13H,6-8H2,1H3
InChIKey
IJDDASQRAPIORY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chlorophenyl)-2-methylmorpholine
CAS: 109461-44-1
CID: 3066043
Formula: C11H14ClNO
MW: 211.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight211.69
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass211.0763918
Monoisotopic Mass211.0763918
Topological Polar Surface Area21.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes