Basic information
- CAS
1037299-73-2- Standard SMILES
O=S(O)c1cc(Br)ccc1Cl- InChIKey
JFHFGURZLLGCBO-UHFFFAOYSA-N- Molecular formula
- C6H4BrClO2S
- Average molar mass
- 255.52 g/mol
- Monoisotopic mass
- 253.88039
Names & identifiers
- Preferred name
- 5-Bromo-2-chlorobenzenesulfinic acid
- IUPAC
- 5-bromo-2-chlorobenzenesulfinic acid
Names & synonyms
5-bromo-2-chlorobenzenesulfinic acidSCHEMBL14179811DTXSID3012888445-Bromo-2-chlorobenzene-1-sulfinic acid1037299-73-2
Database identifiers
- CAS
1037299-73-2- PubChem CID
- 59715768
- DTXSID
DTXSID301288844
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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