Basic information
- CAS
33491-04-2- Standard SMILES
Cc1ccc(C#CCl)cc1- InChIKey
DMZVMQDKSSBTNI-UHFFFAOYSA-N- Molecular formula
- C9H7Cl
- Average molar mass
- 150.6 g/mol
- Monoisotopic mass
- 150.0236279
Names & identifiers
- Preferred name
- 1-(2-Chloroethynyl)-4-methylbenzene
- IUPAC
- 1-(2-chloroethynyl)-4-methylbenzene
Names & synonyms
1-(2-chloroethynyl)-4-methylbenzene1-(chloroethynyl)-4-methylbenzene33491-04-2p-tolylchloracetylenSCHEMBL10424748DTXSID901293962MFCD11655749benzene, 1-(chloroethynyl)-4-methyl-Benzene, 1-(2-chloroethynyl)-4-methyl-InChI=1/C9H7Cl/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,1H
Database identifiers
- CAS
33491-04-2- PubChem CID
- 640384
- DTXSID
DTXSID901293962- Nikkaji
- J786.980K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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