Basic information
- CAS
215815-08-0- Standard SMILES
CCC(=O)c1ccc(Br)cc1OS(C)(=O)=O- InChIKey
OTYZMSGPZHZGGI-UHFFFAOYSA-N- Molecular formula
- C10H11BrO4S
- Average molar mass
- 307.16 g/mol
- Monoisotopic mass
- 305.95614
Names & identifiers
- Preferred name
- 5-Bromo-2-propionylphenyl methanesulfonate
- IUPAC
- (5-bromo-2-propanoylphenyl) methanesulfonate
- English name
- 5-Bromo-2-propionylphenyl methanesulfonate
- Molecular formula
- C10H11BrO4S
- Molecular weight
- 307.16
Names & synonyms
215815-08-05-BROMO-2-PROPIONYLPHENYL METHANESULFONATE(5-bromo-2-propanoylphenyl) methanesulfonateC10H11BrO4S1-Propanone,1-[4-bromo-2-[(methylsulfonyl)oxy]phenyl]-5-bromo-2-propanoylphenyl methanesulfonateSCHEMBL4264335DTXSID10448575OTYZMSGPZHZGGI-UHFFFAOYSA-NAKOS027384325(5-bromo-2-propanoyl-phenyl) methanesulfonateF095465
Show more names
1-[4-Bromo-2-[(methylsulfonyl)oxy]phenyl]-1-propanone1-Propanone, 1-[4-bromo-2-[(methylsulfonyl)oxy]phenyl]-
Methanesulfonic acid 5bromo-2-propionyl-phenyl esterMethanesulfonic acid 5-bromo-2-propionyl-phenyl ester
Database identifiers
- CAS
215815-08-0- PubChem CID
- 10924809
- DTXSID
DTXSID10448575- Nikkaji
- J1.139.383G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 435.6 · 435.6±45.0 °C(Predicted)
- Density
- 1.545 · 1.545±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
凯试(上海)科技有限公司021-50135380 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
10 records
Compound notes
Loading…