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Basic information
- CAS
1361386-46-0- Standard SMILES
COC(=O)c1sc(C(C)(C)C)cc1CBr- InChIKey
KDLLDSDZHKCIKW-UHFFFAOYSA-N- Molecular formula
- C11H15BrO2S
- Average molar mass
- 291.21 g/mol
- Monoisotopic mass
- 289.99761282
Names & identifiers
- Preferred name
- Methyl 3-(bromomethyl)-5-tert-butylthiophene-2-carboxylate
- IUPAC
- methyl 3-(bromomethyl)-5-tert-butylthiophene-2-carboxylate
Names & synonyms
1361386-46-0methyl 3-(bromomethyl)-5-tert-butylthiophene-2-carboxylateMethyl 3-(bromomethyl)-5-(tert-butyl)thiophene-2-carboxylateSCHEMBL161941KDLLDSDZHKCIKW-UHFFFAOYSA-NDTXSID701135186DB-319918Methyl3-(bromomethyl)-5-(tert-butyl)thiophene-2-carboxylate3-bromomethyl-5-tert-butyl-thiophene-2-carboxylic acid methyl ester2-Thiophenecarboxylic acid, 3-(bromomethyl)-5-(1,1-dimethylethyl)-, methyl ester
Database identifiers
- CAS
1361386-46-0- PubChem CID
- 66610052
- DTXSID
DTXSID701135186
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Related reactions
4 records
Compound notes
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