Basic information
- CAS
1183141-39-0- Standard SMILES
CCOCCOc1ccc(C#CCCl)cc1- InChIKey
VURSSQUDTJVIFY-UHFFFAOYSA-N- Molecular formula
- C13H15ClO2
- Average molar mass
- 238.71 g/mol
- Monoisotopic mass
- 238.0760574
Names & identifiers
- Preferred name
- 1-(3-Chloro-1-propyn-1-yl)-4-(2-ethoxyethoxy)benzene
- IUPAC
- 1-(3-chloroprop-1-ynyl)-4-(2-ethoxyethoxy)benzene
Names & synonyms
DTXSID6012187911-(3-Chloro-1-propyn-1-yl)-4-(2-ethoxyethoxy)benzene1-(3-Chloroprop-1-yn-1-yl)-4-(2-ethoxyethoxy)benzene1183141-39-0
Database identifiers
- CAS
1183141-39-0- PubChem CID
- 60802003
- DTXSID
DTXSID601218791
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…