Benzothiazolium, 3-[(3-bromophenyl)methyl]-6-chloro-, bromide
Basic information
- CAS
89542-82-5- Standard SMILES
Clc1ccc2c(c1)sc[n+]2Cc1cccc(Br)c1.[Br-]- InChIKey
PTMQFSKNQAQKFT-UHFFFAOYSA-M- Molecular formula
- C14H10Br2ClNS
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 416.85892
Names & identifiers
- Preferred name
- Benzothiazolium, 3-[(3-bromophenyl)methyl]-6-chloro-, bromide
- IUPAC
- 3-[(3-bromophenyl)methyl]-6-chloro-1,3-benzothiazol-3-ium bromide
Names & synonyms
Benzothiazolium, 3-[(3-bromophenyl)methyl]-6-chloro-, bromide89542-82-53-[(3-bromophenyl)methyl]-6-chloro-1,3-benzothiazol-3-ium;bromideDTXSID103857543-[(3-bromophenyl)methyl]-6-chloro-1,3-benzothiazol-3-ium bromide
Database identifiers
- CAS
89542-82-5- PubChem CID
- 2843293
- DTXSID
DTXSID10385754
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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