Basic information
- CAS
90617-77-9- Standard SMILES
Nc1[nH+]c2ccc(Br)cc2s1.[Cl-]- InChIKey
QVXKEDMTDZDJQF-UHFFFAOYSA-N- Molecular formula
- C7H6BrClN2S
- Average molar mass
- 265.56 g/mol
Names & identifiers
- Preferred name
- 2-Amino-6-bromobenzothiazolium chloride
- IUPAC
- 6-bromo-1,3-benzothiazol-3-ium-2-amine chloride
Names & synonyms
QVXKEDMTDZDJQF-UHFFFAOYSA-N2-amino-6-bromobenzothiazolium chloride
Database identifiers
- CAS
90617-77-9- PubChem CID
- 86740591
Properties
Computed structural properties
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Related reactions
1 records
Compound notes
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