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Basic information
- Standard SMILES
CC(C)Oc1cc2c(cc1Br)C(=O)CC(C)(C)O2- InChIKey
JZEMNUDTTHNVOW-UHFFFAOYSA-N- Molecular formula
- C14H17BrO3
- Average molar mass
- 313.19 g/mol
- Monoisotopic mass
- 312.03611
Names & identifiers
- Preferred name
- 6-Bromo-7-isopropoxy-2,2-dimethyl-chroman-4-one
- IUPAC
- 6-bromo-2,2-dimethyl-7-propan-2-yloxy-3H-chromen-4-one
Names & synonyms
SCHEMBL6276995JZEMNUDTTHNVOW-UHFFFAOYSA-N6-Bromo-7-isopropoxy-2,2-dimethyl-chroman-4-one
Database identifiers
- PubChem CID
- 22490909
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
4 records
Compound notes
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