Benzoic acid, 2-chloro, 2-propynyl ester
Basic information
- CAS
99893-62-6- Standard SMILES
C#CCOC(=O)c1ccccc1Cl- InChIKey
KPSJNVKFAPXVOC-UHFFFAOYSA-N- Molecular formula
- C10H7ClO2
- Average molar mass
- 194.61 g/mol
- Monoisotopic mass
- 194.0134572
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro, 2-propynyl ester
- IUPAC
- prop-2-ynyl 2-chlorobenzoate
Names & synonyms
Benzoic acid, 2-chloro, 2-propynyl ester99893-62-6DTXSID50335899RefChem:326839DTXCID00286988Benzoic acid, 2-chloro-, 2-propynyl esterPROP-2-YN-1-YL 2-CHLOROBENZOATESCHEMBL27960820KPSJNVKFAPXVOC-UHFFFAOYSA-N2-Chlorobenzoic acid, propargyl ester
Database identifiers
- CAS
99893-62-6- PubChem CID
- 527784
- DTXSID
DTXSID50335899- Nikkaji
- J1.592.161G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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