Basic information
- CAS
473405-32-2- Standard SMILES
O=C(COC(=O)c1cccnc1Cl)c1ccc(OC(F)F)cc1- InChIKey
MXQRUEWUJSNFCX-UHFFFAOYSA-N- Molecular formula
- C15H10ClF2NO4
- Average molar mass
- 341.69 g/mol
- Monoisotopic mass
- 341.0266418
Names & identifiers
- Preferred name
- [2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl] 2-chloropyridine-3-carboxylate
- IUPAC
- [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-chloropyridine-3-carboxylate
Names & synonyms
473405-32-22-[4-(difluoromethoxy)phenyl]-2-oxoethyl 2-chloropyridine-3-carboxylate[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-chloropyridine-3-carboxylateMLS001007439CHEMBL1604445DTXSID801324657HMS2740F16AKOS033713522SMR000352668AB00597350-02EN300-26589852SR-01000051495
Show more names
SR-01000051495-1Z19818871
Database identifiers
- CAS
473405-32-2- PubChem CID
- 2099331
- DTXSID
DTXSID801324657- ChEMBL
CHEMBL1604445
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Solubility51.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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