Basic information
- CAS
4458-19-9- Standard SMILES
C#CC(O)(CCl)Cc1ccccc1- InChIKey
GRORLXGODCGVBG-UHFFFAOYSA-N- Molecular formula
- C11H11ClO
- Average molar mass
- 194.66 g/mol
- Monoisotopic mass
- 194.0498427
Names & identifiers
- Preferred name
- 2-Benzyl-1-chlorobut-3-yn-2-ol
- IUPAC
- 2-benzyl-1-chlorobut-3-yn-2-ol
Names & synonyms
DTXSID9012745442-Benzyl-1-chlorobut-3-yn-2-ol4458-19-9I+/--(Chloromethyl)-I+/--ethynylbenzeneethanol
Database identifiers
- CAS
4458-19-9- PubChem CID
- 12499208
- DTXSID
DTXSID901274544
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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