5-Chloro-2-methoxy-4-(2,2,2-trifluoroacetamido)benzoyl chloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
57645-27-9- Standard SMILES
COc1cc(NC(=O)C(F)(F)F)c(Cl)cc1C(=O)Cl- InChIKey
KYDJEXVFPFVSRQ-UHFFFAOYSA-N- Molecular formula
- C10H6Cl2F3NO3
- Average molar mass
- 316.06 g/mol
- Monoisotopic mass
- 314.9676829
Names & identifiers
- Preferred name
- 5-Chloro-2-methoxy-4-(2,2,2-trifluoroacetamido)benzoyl chloride
- IUPAC
- 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoyl chloride
Names & synonyms
5-Chloro-2-methoxy-4-(2,2,2-trifluoroacetamido)benzoyl chloride57645-27-9SCHEMBL111798772-methoxy-4-trifluoroacetylamino-5-chlorobenzoyl chlorideDTXSID60511869
Database identifiers
- CAS
57645-27-9- PubChem CID
- 12866405
- DTXSID
DTXSID60511869
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…