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(S) -3- (3-Bromo-5-chlorophenyl) morpholine

CAT: 0127-OR1066437-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1066437-01Size:100 mg
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CAS Number
1344632-02-5
Purity
95%
Smiles
ClC1=CC(Br)=CC([C@@H]2NCCOC2)=C1

Chemical Information

(3S)-3-(3-bromo-5-chloro-phenyl)morpholine
CAS Number1344632-02-5
PubChem CID130626016
IUPAC Name(3S)-3-(3-bromo-5-chlorophenyl)morpholine
Molecular FormulaC10H11BrClNO
Molecular Weight276.56
XLogP2.3
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
C1COC[C@@H](N1)C2=CC(=CC(=C2)Br)Cl
InChI
InChI=1S/C10H11BrClNO/c11-8-3-7(4-9(12)5-8)10-6-14-2-1-13-10/h3-5,10,13H,1-2,6H2/t10-/m1/s1
InChIKey
PASYNHKFAFJRFY-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of (3S)-3-(3-bromo-5-chloro-phenyl)morpholine
CAS: 1344632-02-5
CID: 130626016
Formula: C10H11BrClNO
MW: 276.56
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight276.56
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass274.97125
Monoisotopic Mass274.97125
Topological Polar Surface Area21.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes