4-Bromo-7-hydroxyisoindolin-1-one
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Basic information
- CAS
808127-81-3- Standard SMILES
O=C1NCc2c(Br)ccc(O)c21- InChIKey
ABPJPJVQBBXEHD-UHFFFAOYSA-N- Molecular formula
- C8H6BrNO2
- Average molar mass
- 228.04 g/mol
- Monoisotopic mass
- 226.95819
Names & identifiers
- Preferred name
- 4-Bromo-7-hydroxyisoindolin-1-one
- IUPAC
- 4-bromo-7-hydroxy-2,3-dihydroisoindol-1-one
- English name
- 4-BroMo-7-hydroxyisoindolin-1-one
- Molecular formula
- C8H6BrNO2
- Molecular weight
- 228.04
Names & synonyms
4-Bromo-7-hydroxyisoindolin-1-one808127-81-34-Bromo-7-hydroxy-2,3-dihydro-isoindol-1-oneMFCD231330764-BROMO-7-HYDROXY-2,3-DIHYDROISOINDOL-1-ONE1H-Isoindol-1-one, 4-bromo-2,3-dihydro-7-hydroxy-SCHEMBL1335445ABPJPJVQBBXEHD-UHFFFAOYSA-N4-bromo-7-hydroxy-1-isoindolinoneIHB127814-bromo-7-hydroxy-isoindolin-1-oneSB38840
Show more names
DA-39826CS-01471374-bromo-7-hydroxy-2,3-dihydro-1H-isoindol-1-one
Database identifiers
- CAS
808127-81-3- PubChem CID
- 21907553
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 530.8 · 530.8±50.0 °C(Predicted)
- Density
- 1.814 · 1.814±0.06 g/cm3(Predicted)
- pka
- 7.92 · 7.92±0.20(Predicted)
Related reactions
2 records
Compound notes
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