2-(Bromomethyl)-7-chloro-1,3-benzothiazole
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Basic information
- CAS
848696-95-7- Standard SMILES
Clc1cccc2nc(CBr)sc12- InChIKey
QYXBDYKKKRSWLR-UHFFFAOYSA-N- Molecular formula
- C8H5BrClNS
- Average molar mass
- 262.55 g/mol
- Monoisotopic mass
- 260.90146
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-7-chloro-1,3-benzothiazole
- IUPAC
- 2-(bromomethyl)-7-chloro-1,3-benzothiazole
- English name
- 2-(BROMOMETHYL)-7-CHLOROBENZOTHIAZOLE
- Molecular formula
- C8H5BrClNS
- Molecular weight
- 262.55
Names & synonyms
848696-95-72-(bromomethyl)-7-chloro-1,3-benzothiazole2-(Bromomethyl)-7-chlorobenzo[d]thiazoleSCHEMBL202726DTXSID80619371QYXBDYKKKRSWLR-UHFFFAOYSA-N2-Bromomethyl-7-chloro-benzothiazoleDA-023892-(BROMOMETHYL)-7-CHLOROBENZOTHIAZOLEBenzothiazole, 2-(bromomethyl)-7-chloro-
Database identifiers
- CAS
848696-95-7- PubChem CID
- 21882899
- DTXSID
DTXSID80619371
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 324.2 · 324.2±22.0 °C(Predicted)
- Density
- 1.777 · 1.777±0.06 g/cm3(Predicted)
- pka
- -0.88 · -0.88±0.30(Predicted)
Related reactions
5 records
Compound notes
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