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Basic information
- Standard SMILES
O=[N+]([O-])c1cc2[nH]ccc2cc1Br- InChIKey
PPXAIJGGCHQXBC-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O2
- Average molar mass
- 241.04 g/mol
- Monoisotopic mass
- 239.95344
Names & identifiers
- Preferred name
- 5-bromo-6-nitro-1H-indole
- IUPAC
- 5-bromo-6-nitro-1H-indole
Names & synonyms
5-bromo-6-nitro-1H-indole104447-74-71H-Indole, 5-bromo-6-nitro-5-Bromo-6-nitroindoleMFCD00466463SCHEMBL397138SCHEMBL31474671SCHEMBL31474672PPXAIJGGCHQXBC-UHFFFAOYSA-NZB1321BS-52448DB-317511
Show more names
5-bromo-6-nitro-1H-indole - [B81196]CS-0160637F537703
Database identifiers
- PubChem CID
- 19744331
- Nikkaji
- J3.365.239I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Related reactions
24 records
Compound notes
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