Basic information
- Standard SMILES
O=C(CBr)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1- InChIKey
RSTCCUBBLIIERS-KRWDZBQOSA-N- Molecular formula
- C20H18BrCl2F2NO5
- Average molar mass
- 541.2 g/mol
Names & identifiers
- Preferred name
- (S)-4-(2-(2-bromoacetoxy)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)ethyl)-3,5-dichloropyridine 1-oxide
- IUPAC
- [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 2-bromoacetate
Names & synonyms
(S)-4-(2-(2-bromoacetoxy)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)ethyl)-3,5-dichloropyridine 1-oxideSCHEMBL14798825
Database identifiers
- PubChem CID
- 86679564
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 580
Related reactions
4 records
Compound notes
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