Basic information
- CAS
17727-49-0- Standard SMILES
Clc1cc(Cl)c(OCC#CI)c(Cl)c1Cl- InChIKey
QGQNNGMYDJQARF-UHFFFAOYSA-N- Molecular formula
- C9H3Cl4IO
- Average molar mass
- 395.8 g/mol
- Monoisotopic mass
- 393.79827
Names & identifiers
- Preferred name
- 1,2,3,5-Tetrachloro-4-[(3-iodoprop-2-yn-1-yl)oxy]benzene
- IUPAC
- 1,2,3,5-tetrachloro-4-(3-iodoprop-2-ynoxy)benzene
Names & synonyms
1,2,3,5-tetrachloro-4-[(3-iodoprop-2-yn-1-yl)oxy]benzene17727-49-01,2,3,5-tetrachloro-4-(3-iodoprop-2-ynoxy)benzeneEther,3,4,6-tetrachlorophenylNSC100078DTXSID30295169NSC-100078
Database identifiers
- CAS
17727-49-0- PubChem CID
- 264756
- DTXSID
DTXSID30295169
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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