2-Bromomethyl-6-phenoxy-benzothiazole
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Basic information
- CAS
951123-19-6- Standard SMILES
BrCc1nc2ccc(Oc3ccccc3)cc2s1- InChIKey
GHVIXCZMSFDXOI-UHFFFAOYSA-N- Molecular formula
- C14H10BrNOS
- Average molar mass
- 320.21 g/mol
- Monoisotopic mass
- 318.96664704
Names & identifiers
- Preferred name
- 2-Bromomethyl-6-phenoxy-benzothiazole
- IUPAC
- 2-(bromomethyl)-6-phenoxy-1,3-benzothiazole
Names & synonyms
2-Bromomethyl-6-phenoxy-benzothiazoleSCHEMBL202482GHVIXCZMSFDXOI-UHFFFAOYSA-NDTXSID101272099951123-19-6Benzothiazole, 2-(bromomethyl)-6-phenoxy-2-(bromomethyl)-6-phenoxy-1,3-benzothiazole
Database identifiers
- CAS
951123-19-6- PubChem CID
- 59403045
- DTXSID
DTXSID101272099
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
3 records
Compound notes
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