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4- (2-Bromophenyl) morpholine

CAT: 0127-OR52755-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR52755-01Size:250 mg
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CAS Number
87698-82-6
MDL Number
MFCD03086182
Purity
97%
Smiles
Brc1ccccc1N2CCOCC2

Chemical Information

4-(2-Bromophenyl)morpholine
CAS Number87698-82-6
PubChem CID5325729
IUPAC Name4-(2-bromophenyl)morpholine
Molecular FormulaC10H12BrNO
Molecular Weight242.11
XLogP2.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
C1COCCN1C2=CC=CC=C2Br
InChI
InChI=1S/C10H12BrNO/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8H2
InChIKey
SGUXGSGHYOGBDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Bromophenyl)morpholine
CAS: 87698-82-6
CID: 5325729
Formula: C10H12BrNO
MW: 242.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.11
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass241.01023
Monoisotopic Mass241.01023
Topological Polar Surface Area12.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
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