5-Aminoindolin-2-one hydrobromide
Basic information
- CAS
102359-01-3- Standard SMILES
Br.Nc1ccc2c(c1)CC(=O)N2- InChIKey
BXUGEBGMAOCCFG-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2O
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.98983
Names & identifiers
- Preferred name
- 5-Aminoindolin-2-one hydrobromide
- IUPAC
- 5-amino-1,3-dihydroindol-2-one;hydrobromide
Names & synonyms
102359-01-35-Aminoindolin-2-one hydrobromideSCHEMBL9824774DTXSID1013829492H-Indol-2-one, 5-amino-1,3-dihydro-, hydrobromide (1:1)
Database identifiers
- CAS
102359-01-3- PubChem CID
- 20144320
- DTXSID
DTXSID101382949
Properties
Computed structural properties
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
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Compound notes
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