Basic information
- CAS
7504-28-1- Standard SMILES
Clc1ccc(C#Cc2ccccc2Cl)cc1- InChIKey
VBUQGONSTZHQRW-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2
- Average molar mass
- 247.1 g/mol
- Monoisotopic mass
- 246.0003056
Names & identifiers
- Preferred name
- 1-Chloro-2-[2-(4-chlorophenyl)ethynyl]benzene
- IUPAC
- 1-chloro-2-[2-(4-chlorophenyl)ethynyl]benzene
Names & synonyms
7504-28-11-chloro-2-[2-(4-chlorophenyl)ethynyl]benzeneNSC407573DTXSID30324706NSC-4075731-Chloro-2-[(4-chlorophenyl)ethynyl]benzene
Database identifiers
- CAS
7504-28-1- PubChem CID
- 348308
- DTXSID
DTXSID30324706
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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