4-Bromo-1-phenylsulfonyl-3-chlorosulfonylindol
Basic information
- CAS
1027069-88-0- Standard SMILES
O=S(=O)(Cl)c1cn(S(=O)(=O)c2ccccc2)c2cccc(Br)c12- InChIKey
AJFZJGPPJQFPAU-UHFFFAOYSA-N- Molecular formula
- C14H9BrClNO4S2
- Average molar mass
- 434.7 g/mol
- Monoisotopic mass
- 432.88449
Names & identifiers
- Preferred name
- 4-Bromo-1-phenylsulfonyl-3-chlorosulfonylindol
- IUPAC
- 1-(benzenesulfonyl)-4-bromoindole-3-sulfonyl chloride
- English name
- 4-Bromo-1-phenylsulfonyl-3-chlorosulfonylindol
- Molecular formula
- C14H9BrClNO4S2
- Molecular weight
- 434.71
Names & synonyms
1027069-88-04-Bromo-1-phenylsulfonyl-3-chlorosulfonylindol4-Bromo-1-(phenylsulfonyl)-1H-indole-3-sulfonyl chloride1-(benzenesulfonyl)-4-bromoindole-3-sulfonyl chloride1-(Benzenesulfonyl)-4-bromo-1H-indole-3-sulfonyl chlorideDTXSID30673963SCHEMBL4782100AKOS0158355284-Bromo-1-(phenylsulfonyl)-1H-indole-3-sulfonylchloride1H-Indole-3-sulfonyl chloride, 4-bromo-1-(phenylsulfonyl)-
Database identifiers
- CAS
1027069-88-0- PubChem CID
- 46737201
- DTXSID
DTXSID30673963
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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