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(4-Bromophenyl) (morpholin-4-yl) methanone

CAT: 0024-sc-256727Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-256727Size:1 g
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CAS Number
127580-92-1

Chemical Information

4-(4-Bromobenzoyl)morpholine
CAS Number127580-92-1
PubChem CID532148
IUPAC Name(4-bromophenyl)-morpholin-4-ylmethanone
Molecular FormulaC11H12BrNO2
Molecular Weight270.12
XLogP1.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity221
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H12BrNO2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
InChIKey
FTAGZJAFWFNHAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Bromobenzoyl)morpholine
CAS: 127580-92-1
CID: 532148
Formula: C11H12BrNO2
MW: 270.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.12
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass269.00514
Monoisotopic Mass269.00514
Topological Polar Surface Area29.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity221
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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