Basic information
- Standard SMILES
N#Cc1c(Br)cc(Br)c2nnsc12- InChIKey
MSTOXOOJRZJTEH-UHFFFAOYSA-N- Molecular formula
- C7HBr2N3S
- Average molar mass
- 318.98 g/mol
- Monoisotopic mass
- 316.82579
Names & identifiers
- Preferred name
- 4,6-Dibromo-7-cyanobenzo-1,2,3-thiadiazole
- IUPAC
- 4,6-dibromo-1,2,3-benzothiadiazole-7-carbonitrile
Names & synonyms
SCHEMBL9088893MSTOXOOJRZJTEH-UHFFFAOYSA-N4,6-dibromo-7-cyanobenzo-1,2,3-thiadiazole
Database identifiers
- PubChem CID
- 22403370
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 253
Related reactions
2 records
Compound notes
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