Methyl chlorotetrolate
methyl 4-chlorobut-2-ynoate
Also Known As: Methyl 4-chlorobut-2-ynoate|Methyl chlorotetrolate|methyl 4-chlorotetrolate|METHYL-4-CHLORO-2-BUTYNOATE|Chlorotetrolic acid methyl ester|Chlortetrolsaeuremethylester|Methyl4-chlorobut-2-ynoate|methyl 4-chloro-2-butynoate|chloro-but-2-ynoic acid methyl ester|2-Butynoic acid, 4-chloro-, methyl ester|4-Chloro-2-butynoic acid methyl ester|2-Butynoic acid,4-chloro-, methyl ester|831-446-1
| Molecular Formula | C5H5ClO2 |
|---|---|
| Molecular Weight | 131.9978 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.9978 |
| Monoisotopic Mass | 131.9978 |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 5408-58-2 |
|---|---|
| SMILES | COC(=O)C#CCCl |
| InChIKey | SQWTVWVBVHSZGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl chlorotetrolate (CAS 5408-58-2), with molecular formula C5H5ClO2 and molecular weight 131.9978 g/mol. IUPAC: methyl 4-chlorobut-2-ynoate.
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