Basic information
- CAS
134880-90-3- Standard SMILES
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CI)c1nc(C(F)(F)F)c(Cl)s1- InChIKey
LVJBILLXLPQTEP-UHFFFAOYSA-N- Molecular formula
- C14H5ClF9IN2OS
- Average molar mass
- 582.61 g/mol
- Monoisotopic mass
- 581.87121
Names & identifiers
- Preferred name
- N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(iodomethyl)-3,5-bis(trifluoromethyl)benzamide
- IUPAC
- N-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(iodomethyl)-3,5-bis(trifluoromethyl)benzamide
Names & synonyms
134880-90-3N-(5-Chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl)-N-(iodomethyl)-3,5-bis(trifluoromethyl)benzamideN-[5-chloro-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N-(iodomethyl)-3,5-bis(trifluoromethyl)benzamideDTXSID30159035
Database identifiers
- CAS
134880-90-3- PubChem CID
- 178192
- DTXSID
DTXSID30159035
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…