2-Propyn-1-ol, trichloroacetate
Basic information
- CAS
51698-77-2- Standard SMILES
C#CCOC(=O)C(Cl)(Cl)Cl- InChIKey
PGSHGNZXQJZXFA-UHFFFAOYSA-N- Molecular formula
- C5H3Cl3O2
- Average molar mass
- 201.43 g/mol
- Monoisotopic mass
- 199.919862
Names & identifiers
- Preferred name
- 2-Propyn-1-ol, trichloroacetate
- IUPAC
- prop-2-ynyl 2,2,2-trichloroacetate
Names & synonyms
2-Propyn-1-ol, trichloroacetate51698-77-2DTXSID60307885RefChem:266458DTXCID60259012PGSHGNZXQJZXFA-UHFFFAOYSA-N2-Propynyl trichloroacetateProp-2-yn-1-yl trichloroacetateNSC196170NSC-196170
Database identifiers
- CAS
51698-77-2- PubChem CID
- 304362
- DTXSID
DTXSID60307885- Nikkaji
- J1.131.329I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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