Basic information
- CAS
92797-11-0- Standard SMILES
O=C1C(c2c[nH]c3ccc(Br)cc23)=Nc2ccc(Br)cc21- InChIKey
GJUIVHFZEJPUMO-UHFFFAOYSA-N- Molecular formula
- C16H8Br2N2O
- Average molar mass
- 404.05 g/mol
- Monoisotopic mass
- 401.90034
Names & identifiers
- Preferred name
- 5-bromo-2-(5-bromo-1H-indol-3-yl)indol-3-one
- IUPAC
- 5-bromo-2-(5-bromo-1H-indol-3-yl)indol-3-one
Names & synonyms
NSC10532592797-11-0DTXSID50421988NSC-105325DS-0142253H-indol-3-one,5-bromo-2-(5-bromo-1h-indol-3-yl)-(2Z)-5-Bromo-2-(5-bromo-3H-indol-3-ylidene)-1,2-dihydro-3H-indol-3-one
Database identifiers
- CAS
92797-11-0- PubChem CID
- 266604
- DTXSID
DTXSID50421988
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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