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4-(4-Bromo-2-methylphenyl)-morpholine

CAT: 0572-TRC-B685665-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B685665-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1279032-06-2
Hazard Statement
No Data Available
Smiles
Cc1cc(Br)ccc1N2CCOCC2
Molecular Formula
C11 H14 Br N O
Molecular Weight
256.139
InChI
InChI=1S/C11H14BrNO/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7H2,1H3
Additionnal Information
IUPAC name: 4-(4-bromo-2-methylphenyl)morpholine
Shipping Conditions
Room Temperature

Chemical Information

4-(4-Bromo-2-methylphenyl)morpholine
CAS Number1279032-06-2
PubChem CID57119745
IUPAC Name4-(4-bromo-2-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)Br)N2CCOCC2
InChI
InChI=1S/C11H14BrNO/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7H2,1H3
InChIKey
UIDBYSJUXPJUDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Bromo-2-methylphenyl)morpholine
CAS: 1279032-06-2
CID: 57119745
Formula: C11H14BrNO
MW: 256.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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