Basic information
- CAS
23453-97-6- Standard SMILES
O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc(Br)cc1- InChIKey
KAEMTPMTGFUPAZ-UHFFFAOYSA-N- Molecular formula
- C12H7BrCl2O3S
- Average molar mass
- 382.1 g/mol
- Monoisotopic mass
- 379.86763
Names & identifiers
- Preferred name
- Benzenesulfonic acid, p-bromo-, 2,5-dichlorophenyl ester
- IUPAC
- (2,5-dichlorophenyl) 4-bromobenzenesulfonate
- English name
- p-Bromobenzenesulfonic acid 2,5-dichlorophenyl ester
- Molecular formula
- C12H7BrCl2O3S
- Molecular weight
- 382.06
Names & synonyms
23453-97-6p-Bromobenzenesulfonic acid 2,5-dichlorophenyl esterBenzenesulfonic acid, p-bromo-, 2,5-dichlorophenyl esterBRN 21538972,5-Dichlorophenyl p-bromobenzenesulfonateDTXSID90178005RefChem:325607DTXCID801004962,5-dichlorophenyl 4-bromobenzenesulfonateBenzenesulfonic acid,4-bromo-, 2,5-dichlorophenyl ester(2,5-dichlorophenyl) 4-bromobenzenesulfonate2,5-dichlorophenyl 4-bromobenzene-1-sulfonate
Show more names
Benzenesulfonic acid, 4-bromo-, 2,5-dichlorophenyl ester
AKOS002278605ST50171796Z45558609
Database identifiers
- CAS
23453-97-6- PubChem CID
- 211599
- DTXSID
DTXSID90178005- Nikkaji
- J41.359C
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 470.7 · 470.7±45.0 °C(Predicted)
- Density
- 1.711 · 1.711±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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