Basic information
- CAS
574712-24-6- Standard SMILES
CCCCCCCCCCCCNC(=O)c1ccc(Cl)cc1Cl- InChIKey
DKWSISRFMCTVJQ-UHFFFAOYSA-N- Molecular formula
- C19H29Cl2NO
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 357.1626199
Names & identifiers
- Preferred name
- 2,4-dichloro-N-dodecyl-benzamide
- IUPAC
- 2,4-dichloro-N-dodecylbenzamide
- English name
- 2,4-Dichloro-N-dodecyl-benzamide
- Molecular formula
- C19H29Cl2NO
- Molecular weight
- 358.35
Names & synonyms
2,4-dichloro-N-dodecyl-benzamideAKOS003791790Benzamide, 2,4-dichloro-N-dodecyl-
Database identifiers
- CAS
574712-24-6- PubChem CID
- 4599552
- EC Number
- 141-300-2
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 453.293 · 453.293±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.069 · 1.069±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.516 · 13.516±0.46(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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