2-Propanone, 1,3-bis(2-chloro-4,5-dimethylphenoxy)-
Basic information
- CAS
57641-35-7- Standard SMILES
Cc1cc(Cl)c(OCC(=O)COc2cc(C)c(C)cc2Cl)cc1C- InChIKey
YNGZQLJNLCNGOM-UHFFFAOYSA-N- Molecular formula
- C19H20Cl2O3
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 366.0789499
Names & identifiers
- Preferred name
- 2-Propanone, 1,3-bis(2-chloro-4,5-dimethylphenoxy)-
- IUPAC
- 1,3-bis(2-chloro-4,5-dimethylphenoxy)propan-2-one
Names & synonyms
BRN 23981072-Propanone, 1,3-bis(2-chloro-4,5-dimethylphenoxy)-1,3-Bis(2-chloro-4,5-dimethylphenoxy)-2-propanone57641-35-7DTXSID90206332RefChem:265999DTXCID901288231,3-bis(2-chloro-4,5-dimethylphenoxy)propan-2-oneCHEMBL3273596
Database identifiers
- CAS
57641-35-7- PubChem CID
- 3044752
- DTXSID
DTXSID90206332- ChEMBL
CHEMBL3273596
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 381
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…