Benzothiazolium, 3-(2-methoxy-2-oxoethyl)-, bromide
Basic information
- CAS
87910-71-2- Standard SMILES
COC(=O)C[n+]1csc2ccccc21.[Br-]- InChIKey
LXEFEISDDNNXSI-UHFFFAOYSA-M- Molecular formula
- C10H10BrNO2S
- Average molar mass
- 288.16 g/mol
- Monoisotopic mass
- 286.96156
Names & identifiers
- Preferred name
- Benzothiazolium, 3-(2-methoxy-2-oxoethyl)-, bromide
- IUPAC
- methyl 2-(1,3-benzothiazol-3-ium-3-yl)acetate bromide
Names & synonyms
87910-71-2Benzothiazolium, 3-(2-methoxy-2-oxoethyl)-, bromideSCHEMBL2954204DTXSID701007854SR-01000206364SR-01000206364-13-(2-METHOXY-2-OXOETHYL)-1,3-BENZOTHIAZOL-3-IUM BROMIDE
Database identifiers
- CAS
87910-71-2- PubChem CID
- 159181
- DTXSID
DTXSID701007854
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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