Basic information
- CAS
6338-69-8- Standard SMILES
CC(O)CC(C)(C)N.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
FNRKFBRHHRCWFL-UHFFFAOYSA-N- Molecular formula
- C12H16Cl5NO2
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 380.962367
Names & identifiers
- Preferred name
- 4-Amino-4-methylpentan-2-ol;2,3,4,5,6-pentachlorophenol
- IUPAC
- 4-amino-4-methylpentan-2-ol;2,3,4,5,6-pentachlorophenol
Names & synonyms
2,3,4,5,6-pentachlorophenol compound with 4-amino-4-methyl-2-pentanol (1:1)
Database identifiers
- CAS
6338-69-8- PubChem CID
- 412665
Properties
Computed structural properties
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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