Basic information
- CAS
20951-09-1- Standard SMILES
CC(=O)Oc1c(Br)cc(S(C)(=O)=O)cc1Br- InChIKey
RMOMNRHEAAOHRN-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O4S
- Average molar mass
- 372.03 g/mol
- Monoisotopic mass
- 369.85101
Names & identifiers
- Preferred name
- (2,6-Dibromo-4-methylsulfonylphenyl) acetate
- IUPAC
- (2,6-dibromo-4-methylsulfonylphenyl) acetate
- English name
- 2,6-dibromo-4-(methylsulfonyl)phenyl acetate
- Molecular formula
- C9H8Br2O4S
- Molecular weight
- 372.03042
Names & synonyms
(2,6-dibromo-4-methylsulfonylphenyl) acetate20951-09-12,6-dibromo-4-(methylsulfonyl)phenyl acetatePhenol, 2,6-dibromo-4-(methylsulfonyl)-, 1-acetateDTXSID4012269642,6-Dibromo-4-(methanesulfonyl)phenyl acetateAJ-087/25124008
Database identifiers
- CAS
20951-09-1- PubChem CID
- 1024116
- DTXSID
DTXSID401226964
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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