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4- (4-bromo-3-methylphenyl) morpholine

CAT: 0127-OR1082868-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1082868-01Size:250 mg
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CAS Number
1366131-48-7
MDL Number
MFCD24133740
Purity
95%
Smiles
C1c (cc (c (c1) Br) C) N1CCOCC1

Chemical Information

4-(4-Bromo-3-methylphenyl)morpholine
CAS Number1366131-48-7
PubChem CID66806842
IUPAC Name4-(4-bromo-3-methylphenyl)morpholine
Molecular FormulaC11H14BrNO
Molecular Weight256.14
XLogP2.7
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity182
SMILES
CC1=C(C=CC(=C1)N2CCOCC2)Br
InChI
InChI=1S/C11H14BrNO/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7H2,1H3
InChIKey
VYOUNZXSEMFEBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Bromo-3-methylphenyl)morpholine
CAS: 1366131-48-7
CID: 66806842
Formula: C11H14BrNO
MW: 256.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.14
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass255.02588
Monoisotopic Mass255.02588
Topological Polar Surface Area12.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity182
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