2-Bromo-5-methoxybenzo[b]thiophene
Completing data — refresh the page later to see the latest
Basic information
- CAS
1082769-34-3- Standard SMILES
COc1ccc2sc(Br)cc2c1- InChIKey
MRHYAPQJCMSGCE-UHFFFAOYSA-N- Molecular formula
- C9H7BrOS
- Average molar mass
- 243.12 g/mol
- Monoisotopic mass
- 241.9401
Names & identifiers
- Preferred name
- 2-Bromo-5-methoxybenzo[b]thiophene
- IUPAC
- 2-bromo-5-methoxy-1-benzothiophene
- English name
- 2-broMo-5-Methoxybenzo[b]thiophene
- Molecular formula
- C9H7BrOS
- Molecular weight
- 243.12
Names & synonyms
2-Bromo-5-methoxybenzo[b]thiophene1082769-34-32-BROMO-5-METHOXY-1-BENZOTHIOPHENEMFCD11101037Benzo[b]thiophene, 2-bromo-5-methoxy-
Database identifiers
- CAS
1082769-34-3- PubChem CID
- 74891301
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 326.5 · 326.5±22.0 °C(Predicted)
- Density
- 1.586 · 1.586±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…