Basic information
- CAS
82505-76-8- Standard SMILES
CN(C#CC(Cl)=C(Cl)Cl)c1ccccc1- InChIKey
IDFGNTHMKSRAEL-UHFFFAOYSA-N- Molecular formula
- C11H8Cl3N
- Average molar mass
- 260.5 g/mol
- Monoisotopic mass
- 258.972232
Names & identifiers
- Preferred name
- N-Methyl-N-(3,4,4-trichlorobut-3-en-1-yn-1-yl)aniline
- IUPAC
- N-methyl-N-(3,4,4-trichlorobut-3-en-1-ynyl)aniline
Names & synonyms
82505-76-8DTXSID70512887N-Methyl-N-(3,4,4-trichlorobut-3-en-1-yn-1-yl)anilineRefChem:364552DTXCID80463694
Database identifiers
- CAS
82505-76-8- PubChem CID
- 12916675
- DTXSID
DTXSID70512887
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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