Methyl 2-(5-bromo-1,3-thiazol-2-yl)acetate
Basic information
- CAS
1375065-91-0- Standard SMILES
COC(=O)Cc1ncc(Br)s1- InChIKey
HBRYMHKKLRQFBO-UHFFFAOYSA-N- Molecular formula
- C6H6BrNO2S
- Average molar mass
- 236.09 g/mol
- Monoisotopic mass
- 234.93026
Names & identifiers
- Preferred name
- Methyl 2-(5-bromo-1,3-thiazol-2-yl)acetate
- IUPAC
- methyl 2-(5-bromo-1,3-thiazol-2-yl)acetate
- English name
- methyl 2-(5-bromothiazol-2-yl)acetate
- Molecular formula
- C6H6BrNO2S
- Molecular weight
- 236.09
Names & synonyms
methyl 2-(5-bromo-1,3-thiazol-2-yl)acetate1375065-91-0methyl 2-(5-bromothiazol-2-yl)acetateAFC06591ZB0495AKOS015150295CCG-339803CS-0233926methyl2-(5-bromo-1,3-thiazol-2-yl)acetateEN300-137153Z1269244024(5-Bromo-thiazol-2-yl)-aceticacidmethylester
Show more names
2-Thiazoleacetic acid, 5-bromo-, methyl ester
Database identifiers
- CAS
1375065-91-0- PubChem CID
- 65809693
- EC Number
- 882-849-4
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 284.6 · 284.6±20.0 °C(Predicted)
- Density
- 1.672 · 1.672±0.06 g/cm3(Predicted)
- pka
- 0.69 · 0.69±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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