Basic information
- CAS
62224-15-1- Standard SMILES
CC(C)(C)OC(=O)c1sccc1Br- InChIKey
XCRPPRHDXKKLEK-UHFFFAOYSA-N- Molecular formula
- C9H11BrO2S
- Average molar mass
- 263.15 g/mol
- Monoisotopic mass
- 261.96631
Names & identifiers
- Preferred name
- tert-Butyl 3-bromothiophene-2-carboxylate
- IUPAC
- tert-butyl 3-bromothiophene-2-carboxylate
Names & synonyms
tert-Butyl 3-bromothiophene-2-carboxylate62224-15-12-Thiophenecarboxylic acid, 3-bromo-, 1,1-dimethylethyl esterSCHEMBL5725289DTXSID60734672AKOS013211243
Database identifiers
- CAS
62224-15-1- PubChem CID
- 63896830
- DTXSID
DTXSID60734672
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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