Basic information
- CAS
62913-21-7- Standard SMILES
COC(=O)c1sc2ccc(OC)cc2c1Br- InChIKey
MGPNEMFXUBLBIR-UHFFFAOYSA-N- Molecular formula
- C11H9BrO3S
- Average molar mass
- 301.16 g/mol
- Monoisotopic mass
- 299.94558
Names & identifiers
- Preferred name
- Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester
- IUPAC
- methyl 3-bromo-5-methoxy-1-benzothiophene-2-carboxylate
Names & synonyms
62913-21-7methyl 3-bromo-5-methoxy-1-benzothiophene-2-carboxylateBenzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl estermethyl 3-bromo-5-methoxybenzo[b]thiophene-2-carboxylateDTXSID30350080AKOS024274416ST004634
Database identifiers
- CAS
62913-21-7- PubChem CID
- 673236
- DTXSID
DTXSID30350080
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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