Basic information
- Standard SMILES
CCOC(=O)Cc1nc2cc(Br)ccc2s1- InChIKey
MPCZHESOFLZYKJ-UHFFFAOYSA-N- Molecular formula
- C11H10BrNO2S
- Average molar mass
- 300.17 g/mol
- Monoisotopic mass
- 298.96156
Names & identifiers
- Preferred name
- Ethyl 2-(5-bromobenzo[D]thiazol-2-YL)acetate
- IUPAC
- ethyl 2-(5-bromo-1,3-benzothiazol-2-yl)acetate
Names & synonyms
791614-77-2ETHYL 2-(5-BROMOBENZO[D]THIAZOL-2-YL)ACETATESCHEMBL489308ETHYL 2-(5-BROMO-1,3-BENZOTHIAZOL-2-YL)ACETATEMPCZHESOFLZYKJ-UHFFFAOYSA-NAKOS017556536AB55370C90544(5-bromo-benzothiazol-2-yl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 21041508
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
7 records
Compound notes
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