Basic information
- Standard SMILES
ON=Cc1ccc(Br)c2nsnc12- InChIKey
NSTZAYDDPXMGHR-UHFFFAOYSA-N- Molecular formula
- C7H4BrN3OS
- Average molar mass
- 258.1 g/mol
- Monoisotopic mass
- 256.92585
Names & identifiers
- Preferred name
- 7-Bromo-benzo[1,2,5]thiadiazole-4-carbaldehyde oxime
- IUPAC
- N-[(4-bromo-2,1,3-benzothiadiazol-7-yl)methylidene]hydroxylamine
Names & synonyms
SCHEMBL1354280NSTZAYDDPXMGHR-UHFFFAOYSA-N7-bromo-benzo[1,2,5]thiadiazole-4-carbaldehyde oxime7-bromo-benzo[1,2,5]-thiadiazole-4-carbaldehyde oxime
Database identifiers
- PubChem CID
- 136351069
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Related reactions
4 records
Compound notes
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