1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-
Basic information
- CAS
99199-20-9- Standard SMILES
CCCOC1OC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc21- InChIKey
FYBXUTAACSVBGA-UHFFFAOYSA-N- Molecular formula
- C18H14ClF3O4
- Average molar mass
- 386.7 g/mol
- Monoisotopic mass
- 386.0532711
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-
- IUPAC
- 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-propoxy-3H-2-benzofuran-1-one
Names & synonyms
99199-20-95-(2-Chloro-4-(trifluoromethyl)phenoxy)-3-propoxyisobenzofuran-1(3H)-one1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-DTXSID109128425-[2-chloro-4-(trifluoromethyl)phenoxy]-3-propoxy-2-benzofuran-1(3H)-one
Database identifiers
- CAS
99199-20-9- PubChem CID
- 188501
- DTXSID
DTXSID10912842
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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