Basic information
- CAS
803631-43-8- Standard SMILES
O=C(CBr)OCCCS(=O)(=O)O- InChIKey
HVTCXWFFAHQFGR-UHFFFAOYSA-N- Molecular formula
- C5H9BrO5S
- Average molar mass
- 261.09 g/mol
- Monoisotopic mass
- 259.93541
Names & identifiers
- Preferred name
- 3-((Bromoacetyl)oxy)-1-propanesulfonic acid
- IUPAC
- 3-(2-bromoacetyl)oxypropane-1-sulfonic acid
Names & synonyms
3-((Bromoacetyl)oxy)-1-propanesulfonic acid89799-80-4NSC 1206323-(2-bromoacetyl)oxypropane-1-sulfonic acidNSC120632DTXSID10237906DS-0137673-[(Bromoacetyl)oxy]propane-1-sulfonic acid
Database identifiers
- CAS
803631-43-8、89799-80-4- PubChem CID
- 419987
- DTXSID
DTXSID10237906
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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