Basic information
- CAS
10470-58-3- Standard SMILES
Cc1c(Br)ccc2c(C=O)csc12- InChIKey
DLOJYDCOTAFXSM-UHFFFAOYSA-N- Molecular formula
- C10H7BrOS
- Average molar mass
- 255.13 g/mol
- Monoisotopic mass
- 253.9401
Names & identifiers
- Preferred name
- 6-Bromo-7-methylbenzo(b)thiophene-3-carboxaldehyde
- IUPAC
- 6-bromo-7-methyl-1-benzothiophene-3-carbaldehyde
Names & synonyms
10470-58-36-Bromo-7-methylbenzo[b]thiophene-3-carboxaldehyde6-Bromo-7-methylbenzo(b)thiophene-3-carboxaldehydeRefChem:3076166-Bromo-7-methyl-1-benzothiophene-3-carbaldehyde6-Bromo-7-methylbenzo(b)thiophene-3-carbaldehydeSCHEMBL16414294DTXSID2012281766-bromo-7-methyl-benzothiophene-3-carbaldehyde6-Bromo-7-methyl-1-benzothiophene-3-carbaldehyde #
Database identifiers
- CAS
10470-58-3- PubChem CID
- 620689
- DTXSID
DTXSID201228176- Nikkaji
- J1.426.602J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…