2H-1,2,4-Benzothiadiazin-3-amine, 7-bromo-, 1,1-dioxide
Basic information
- CAS
67159-89-1- Standard SMILES
NC1=NS(=O)(=O)c2cc(Br)ccc2N1- InChIKey
SJNFNVGMSMCJOD-UHFFFAOYSA-N- Molecular formula
- C7H6BrN3O2S
- Average molar mass
- 276.11 g/mol
- Monoisotopic mass
- 274.93641
Names & identifiers
- Preferred name
- 2H-1,2,4-Benzothiadiazin-3-amine, 7-bromo-, 1,1-dioxide
- IUPAC
- 7-bromo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-amine
Names & synonyms
2H-1,2,4-Benzothiadiazin-3-amine, 7-bromo-, 1,1-dioxideDTXSID60120670667159-89-13-Amino-7-bromo-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Database identifiers
- CAS
67159-89-1- PubChem CID
- 12423219
- DTXSID
DTXSID601206706
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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