Methyl 5-bromo4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate

HCID 22397151
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Basic information

Standard SMILES
COC(=O)C1(Br)CCc2sccc2C1=O
InChIKey
XAYHSBALDPKWEQ-UHFFFAOYSA-N
Molecular formula
C10H9BrO3S
Average molar mass
289.15 g/mol

Names & identifiers

Preferred name
Methyl 5-bromo4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate
IUPAC
methyl 5-bromo-4-oxo-6,7-dihydro-1-benzothiophene-5-carboxylate

Names & synonyms

SCHEMBL6283184XAYHSBALDPKWEQ-UHFFFAOYSA-Nmethyl 5-bromo-4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylatemethyl 5-bromo4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate

Database identifiers

PubChem CID
22397151

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Related reactions

4 records
New reaction record

Compound notes

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