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4-[ (2-Bromophenyl) sulphonyl]morpholine

CAT: 0127-OR11692Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR11692Size:1 Each
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CAS Number
688798-57-4
MDL Number
MFCD09340792
Purity
=95%
Smiles
Brc1ccccc1S(=O)(=O)N2CCOCC2
Storage Conditions
Store at 2-8°C

Chemical Information

4-(2-Bromophenylsulfonyl)morpholine
CAS Number688798-57-4
PubChem CID8405567
IUPAC Name4-(2-bromophenyl)sulfonylmorpholine
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18
XLogP1.4
Topological Polar Surface Area55
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity321
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C10H12BrNO3S/c11-9-3-1-2-4-10(9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
InChIKey
ZAPNWTPTHAUFJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Bromophenylsulfonyl)morpholine
CAS: 688798-57-4
CID: 8405567
Formula: C10H12BrNO3S
MW: 306.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight306.18
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass304.97213
Monoisotopic Mass304.97213
Topological Polar Surface Area55 Ų
Heavy Atom Count16
Formal Charge0
Complexity321
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