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(2-Bromo-4-chlorophenyl) methanesulfonamide

CAT: 0926-YGC03131-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YGC03131-01Size:50 mg
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CAS Number
1423031-31-5
MDL Number
MFCD22741306
Smiles
C1=CC (=C (C=C1Cl) Br) CS (=O) (=O) N
Molecular Formula
C7H7BrClNO2S
Molecular Weight
284.56 g/mol
Controlled
No

Chemical Information

(2-Bromo-4-chlorophenyl)methanesulfonamide
CAS Number1423031-31-5
PubChem CID71683198
IUPAC Name(2-bromo-4-chlorophenyl)methanesulfonamide
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56
XLogP1.7
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity264
SMILES
C1=CC(=C(C=C1Cl)Br)CS(=O)(=O)N
InChI
InChI=1S/C7H7BrClNO2S/c8-7-3-6(9)2-1-5(7)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKey
YTMAKWLPKMJEEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Bromo-4-chlorophenyl)methanesulfonamide
CAS: 1423031-31-5
CID: 71683198
Formula: C7H7BrClNO2S
MW: 284.56
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight284.56
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass282.90694
Monoisotopic Mass282.90694
Topological Polar Surface Area68.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity264
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