6-Bromo-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
Basic information
- CAS
354580-62-4- Standard SMILES
O=C1CC(C(=O)O)c2cc(Br)ccc21- InChIKey
XCTGQNKTJGLIAI-UHFFFAOYSA-N- Molecular formula
- C10H7BrO3
- Average molar mass
- 255.06 g/mol
- Monoisotopic mass
- 253.95786
Names & identifiers
- Preferred name
- 6-Bromo-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
- IUPAC
- 6-bromo-3-oxo-1,2-dihydroindene-1-carboxylic acid
- English name
- 6-BROMO-2,3-DIHYDRO-3-OXO-1H-INDENE-1-CARBOXYLIC ACID
- Molecular formula
- C10H7BrO3
- Molecular weight
- 0
Names & synonyms
354580-62-46-BROMO-3-OXO-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID6-bromo-3-oxo-1,2-dihydroindene-1-carboxylic acidSCHEMBL27864834DTXSID406953936-bromo-3-oxo-indane-1-carboxylic acidDB-263808CS-03107366-Bromo-2,3-dihydro-3-oxo-1H-indene-1-carboxylic acid
Database identifiers
- CAS
354580-62-4- PubChem CID
- 53404456
- DTXSID
DTXSID40695393
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
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Related reactions
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Compound notes
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