Basic information
- CAS
27720-87-2- Standard SMILES
O=C1c2ccccc2S(=O)(=O)CC1Br- InChIKey
DEGLAKGDZIPTAY-UHFFFAOYSA-N- Molecular formula
- C9H7BrO3S
- Average molar mass
- 275.12 g/mol
- Monoisotopic mass
- 273.92993
Names & identifiers
- Preferred name
- AO-800/41069731
- IUPAC
- 3-bromo-1,1-dioxo-2,3-dihydrothiochromen-4-one
Names & synonyms
27720-87-2DTXSID90323396AO-800/41069731RefChem:319924DTXCID702745143-bromo-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide3-bromothiochroman-4-one 1,1-dioxide3-bromo-1,1-dioxo-2,3-dihydrothiochromen-4-oneNSC403925NSC-4039253-Bromo-2,3-dihydro-1lambda~6~-benzothiopyran-1,1,4-trione
Database identifiers
- CAS
27720-87-2- PubChem CID
- 345950
- DTXSID
DTXSID90323396
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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