Basic information
- CAS
52782-35-1- Standard SMILES
CCCC(=O)NC(O)C(Cl)(Cl)CCl- InChIKey
XJURVJRJBRYKDR-UHFFFAOYSA-N- Molecular formula
- C7H12Cl3NO2
- Average molar mass
- 248.5 g/mol
- Monoisotopic mass
- 246.993362
Names & identifiers
- Preferred name
- Butanamide, N-(2,2,3-trichloro-1-hydroxypropyl)-
- IUPAC
- N-(2,2,3-trichloro-1-hydroxypropyl)butanamide
Names & synonyms
NIOSH/ES4804000ES48040000N-(1-Hydroxy-2,2,3-trichloropropyl)butyramideN-(2,2,3-Trichloro-1-hydroxypropyl)butyramideButyramide, N-(1-hydroxy-2,2,3-trichloropropyl)-N-(2,2,3-trichloro-1-hydroxypropyl)butanamide52782-35-1Butanamide, N-(2,2,3-trichloro-1-hydroxypropyl)-SCHEMBL11600146DTXSID40388637
Database identifiers
- CAS
52782-35-1- PubChem CID
- 3027810
- DTXSID
DTXSID40388637
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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