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4- (3- (Bromomethyl) phenyl) morpholine

CAT: 0127-OR1050989-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1050989-01Size:100 mg
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CAS Number
1314884-51-9
MDL Number
MFCD28063269
Purity
95%
Smiles
BrCC1=CC(N2CCOCC2)=CC=C1

Chemical Information

4-(3-(Bromomethyl)phenyl)morpholine
CAS Number1314884-51-9
PubChem CID101043342
IUPAC Name4-[3-(bromomethyl)phenyl]morpholine
Molecular FormulaC11H14BrNO
Molecular Weight256.14
XLogP2.2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity171
SMILES
C1COCCN1C2=CC=CC(=C2)CBr
InChI
InChI=1S/C11H14BrNO/c12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKey
HLAQSTCAEQGBFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-(Bromomethyl)phenyl)morpholine
CAS: 1314884-51-9
CID: 101043342
Formula: C11H14BrNO
MW: 256.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.14
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass255.02588
Monoisotopic Mass255.02588
Topological Polar Surface Area12.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes