Sodium 3-(2-bromoacetyl)oxypropane-1-sulfonic acid
Basic information
- CAS
89799-80-4- Standard SMILES
O=C(CBr)OCCCS(=O)(=O)O.[Na+]- InChIKey
KPEPQIJTGCBRPU-UHFFFAOYSA-N- Molecular formula
- C5H9BrNaO5S+
- Average molar mass
- 284.08 g/mol
- Monoisotopic mass
- 282.92518
Names & identifiers
- Preferred name
- Sodium 3-(2-bromoacetyl)oxypropane-1-sulfonic acid
- IUPAC
- sodium 3-(2-bromoacetyl)oxypropane-1-sulfonic acid
Names & synonyms
NSC120632NSC-120632
Database identifiers
- CAS
89799-80-4- PubChem CID
- 54599375
Properties
Computed structural properties
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 229
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Compound notes
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