4,5-Dibromo-3-(2-methoxyethoxy)thiophene-2-carboxylic acid

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Basic information

CAS: 1708401-37-9
Standard SMILES: COCCOc1c(C(=O)O)sc(Br)c1Br
InChIKey: JMEAFYCKBQANIS-UHFFFAOYSA-N
Molecular formula: C8H8Br2O4S
Average molar mass: 360.02 g/mol
Monoisotopic mass: 357.85101

Names & identifiers

Preferred name: 4,5-Dibromo-3-(2-methoxyethoxy)thiophene-2-carboxylic acid
IUPAC: 4,5-dibromo-3-(2-methoxyethoxy)thiophene-2-carboxylic acid

Names & synonyms

1708401-37-94,5-dibromo-3-(2-methoxyethoxy)thiophene-2-carboxylic acid4,5-Dibromo-3-(2-methoxy-ethoxy)-thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 4,5-dibromo-3-(2-methoxyethoxy)-DTXSID001184899AKOS038557214

Database identifiers

CAS: 1708401-37-9
PubChem CID: 97618262
DTXSID: DTXSID001184899

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 84 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 229

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