3-methyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]benzamide
Basic information
- CAS
301814-64-2- Standard SMILES
Cc1cccc(C(=O)NC(Oc2c(Cl)cc(Cl)cc2Cl)C(Cl)(Cl)Cl)c1- InChIKey
XVXVMYNFMDZOBC-UHFFFAOYSA-N- Molecular formula
- C16H11Cl6NO2
- Average molar mass
- 462 g/mol
- Monoisotopic mass
- 458.892095
Names & identifiers
- Preferred name
- 3-methyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]benzamide
- IUPAC
- 3-methyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]benzamide
- English name
- 3-methyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]benzamide
- Molecular formula
- C16H11Cl6NO2
- Molecular weight
- 461.98
Names & synonyms
3-methyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]benzamide3-METHYL-N-(2,2,2-TRICHLORO-1-(2,4,6-TRICHLOROPHENOXY)ETHYL)BENZAMIDESTK808318AKOS002160973AKOS016288374Benzamide, 3-methyl-N-[2,2,2-trichloro-1-(2,4,6-trichlorophenoxy)ethyl]-
Database identifiers
- CAS
301814-64-2- PubChem CID
- 4094725
- EC Number
- 141-081-3
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Boiling point
- 537.8 · 537.8±50.0 °C(Predicted)
- Density
- 1.532 · 1.532±0.06 g/cm3(Predicted)
- pka
- 11.6 · 11.60±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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