Methyl 7-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxylate
Basic information
- Standard SMILES
COC(=O)c1cc(Br)c2c(c1)CC(C)(C)O2- InChIKey
CKWKKHIQIPCDNS-UHFFFAOYSA-N- Molecular formula
- C12H13BrO3
- Average molar mass
- 285.13 g/mol
- Monoisotopic mass
- 284.00481
Names & identifiers
- Preferred name
- Methyl 7-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxylate
- IUPAC
- methyl 7-bromo-2,2-dimethyl-3H-1-benzofuran-5-carboxylate
Names & synonyms
SCHEMBL3626546CKWKKHIQIPCDNS-UHFFFAOYSA-NDB-402943methyl 7-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxylateMethyl 7-bromo-2,3-dihydro-2,2-dimethyl-5-benzofurancarboxylate865138-28-9
Database identifiers
- PubChem CID
- 23157463
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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