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2- (2-Bromophenyl) ethane-1-sulfonamide

CAT: 0926-LBC75490-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-LBC75490-01Size:50 mg
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CAS Number
1286754-90-2
MDL Number
MFCD28396554
Smiles
C1=CC=C (C (=C1) CCS (=O) (=O) N) Br
Molecular Formula
C8H10BrNO2S
Molecular Weight
264.14 g/mol
Controlled
No

Chemical Information

2-(2-Bromophenyl)ethane-1-sulfonamide
CAS Number1286754-90-2
PubChem CID91666727
IUPAC Name2-(2-bromophenyl)ethanesulfonamide
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14
XLogP1.6
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity247
SMILES
C1=CC=C(C(=C1)CCS(=O)(=O)N)Br
InChI
InChI=1S/C8H10BrNO2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-4H,5-6H2,(H2,10,11,12)
InChIKey
JAWVVMFAOOKVSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Bromophenyl)ethane-1-sulfonamide
CAS: 1286754-90-2
CID: 91666727
Formula: C8H10BrNO2S
MW: 264.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.14
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass262.96156
Monoisotopic Mass262.96156
Topological Polar Surface Area68.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity247
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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