Basic information
- CAS
79043-29-1- Standard SMILES
O=c1oc2ccc(Br)cc2cc1CCS- InChIKey
ALOKADKMORMDEA-UHFFFAOYSA-N- Molecular formula
- C11H9BrO2S
- Average molar mass
- 285.16 g/mol
- Monoisotopic mass
- 283.95066
Names & identifiers
- Preferred name
- 6-Bromo-3-(2-sulfanylethyl)-2h-chromen-2-one
- IUPAC
- 6-bromo-3-(2-sulfanylethyl)chromen-2-one
Names & synonyms
79043-29-16-bromo-3-(2-sulfanylethyl)-2h-chromen-2-oneNSC99072DTXSID70294979NSC-990726-Bromo-3-(2-sulfanylethyl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
79043-29-1- PubChem CID
- 264151
- DTXSID
DTXSID70294979
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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