3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole
Basic information
- CAS
863669-65-2- Standard SMILES
Cc1c(CCl)noc1-c1ccc(F)cc1- InChIKey
JORGUYJLYFNPOD-UHFFFAOYSA-N- Molecular formula
- C11H9ClFNO
- Average molar mass
- 225.64 g/mol
- Monoisotopic mass
- 225.0356698
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-5-(4-fluorophenyl)-4-methylisoxazole
- IUPAC
- 3-(chloromethyl)-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
Names & synonyms
3-(CHLOROMETHYL)-5-(4-FLUOROPHENYL)-4-METHYLISOXAZOLE3-(chloromethyl)-5-(4-fluorophenyl)-4-methyl-1,2-oxazole863669-65-2DTXSID001214408AKOS009020817SR-01000074480SR-01000074480-1Z99599730
Database identifiers
- CAS
863669-65-2- PubChem CID
- 7130640
- DTXSID
DTXSID001214408
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
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Compound notes
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