Basic information
- CAS
883804-78-2- Standard SMILES
O=C(CCl)OCn1c(=O)sc2ccccc21- InChIKey
CMQBBLLDQIJUOZ-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO3S
- Average molar mass
- 257.69 g/mol
- Monoisotopic mass
- 256.991342
Names & identifiers
- Preferred name
- (2-oxo-1,3-benzothiazol-3(2H)-yl)methyl chloroacetate
- IUPAC
- (2-oxo-1,3-benzothiazol-3-yl)methyl 2-chloroacetate
- English name
- (2-Oxo-1,3-benzothiazol-3(2H)-yl)methyl chloroacetate
- Molecular formula
- C10H8ClNO3S
- Molecular weight
- 257.69
Names & synonyms
AKOS024343871(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl chloroacetateAcetic acid, 2-chloro-, (2-oxo-3(2H)-benzothiazolyl)methyl ester
Database identifiers
- CAS
883804-78-2- PubChem CID
- 4457683
- EC Number
- 140-849-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 417.476 · 417.476±51.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.477 · 1.477±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.893 · -1.893±0.20(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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