Basic information
- CAS
5345-60-8- Standard SMILES
CCCCCCC(=O)NC(O)C(Cl)(Cl)C(C)Cl- InChIKey
PXDROCOEYXYTLB-UHFFFAOYSA-N- Molecular formula
- C11H20Cl3NO2
- Average molar mass
- 304.6 g/mol
- Monoisotopic mass
- 303.055962
Names & identifiers
- Preferred name
- N-(2,2,3-trichloro-1-hydroxybutyl)heptanamide
- IUPAC
- N-(2,2,3-trichloro-1-hydroxybutyl)heptanamide
Names & synonyms
5345-60-8NSC1712DTXSID30968129NSC-1712N-(2,3-TRICHLORO-1-HYDROXYBUTYL)HEPTANAMIDEN-(2,2,3-Trichloro-1-hydroxybutyl)heptanimidic acid
Database identifiers
- CAS
5345-60-8- PubChem CID
- 219910
- DTXSID
DTXSID30968129
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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