2-Bromopropan-1-ol;4-methylbenzenesulfonic acid
Basic information
- CAS
54619-30-6- Standard SMILES
CC(Br)CO.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
SHPIZKQAPIQGAU-UHFFFAOYSA-N- Molecular formula
- C10H15BrO4S
- Average molar mass
- 311.19 g/mol
- Monoisotopic mass
- 309.98744
Names & identifiers
- Preferred name
- 2-Bromopropan-1-ol;4-methylbenzenesulfonic acid
- IUPAC
- 2-bromopropan-1-ol;4-methylbenzenesulfonic acid
Names & synonyms
54619-30-6DTXSID007880534-Methylbenzene-1-sulfonic acid--2-bromopropan-1-ol (1/1)
Database identifiers
- CAS
54619-30-6- PubChem CID
- 71364589
- DTXSID
DTXSID00788053
Properties
Computed structural properties
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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