Basic information
- CAS
255895-91-1- Standard SMILES
CC(C)(C)c1ccc2c(c1)C(=O)C(Br)C2- InChIKey
VLRKFFCQLULSRM-UHFFFAOYSA-N- Molecular formula
- C13H15BrO
- Average molar mass
- 267.16 g/mol
- Monoisotopic mass
- 266.03063
Names & identifiers
- Preferred name
- 2-Bromo-6-tert-butyl-2,3-dihydro-1H-inden-1-one
- IUPAC
- 2-bromo-6-tert-butyl-2,3-dihydroinden-1-one
- English name
- 2-Bromo-2,3-dihydro-6-(1,1-dimethylethyl)-1H-inden-1-one
- Molecular formula
- C13H15BrO
- Molecular weight
- 267.16
Names & synonyms
255895-91-12-Bromo-6-tert-butyl-2,3-dihydro-1H-inden-1-oneSCHEMBL6204038DTXSID20622581VLRKFFCQLULSRM-UHFFFAOYSA-N2-bromo-6-tert-butylindan-1-one2-Bromo-2,3-dihydro-6-(1,1-dimethylethyl)-1H-inden-1-one1H-Inden-1-one, 2-bromo-6-(1,1-dimethylethyl)-2,3-dihydro-
Database identifiers
- CAS
255895-91-1- PubChem CID
- 22119032
- DTXSID
DTXSID20622581
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Related reactions
2 records
Compound notes
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