Basic information
- Standard SMILES
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1CCl- InChIKey
JMDLBQMKBBJSKK-UHFFFAOYSA-N- Molecular formula
- C13H12Cl3NO
- Average molar mass
- 304.6 g/mol
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropylisoxazole
- IUPAC
- 4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole
Names & synonyms
700835-81-04-(chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropylisoxazoleMFCD22420079C13H12Cl3NOSCHEMBL1179026JMDLBQMKBBJSKK-UHFFFAOYSA-NAC6650AKOS037630819SY233115DB-1230834-(chloromethyl)-3-(2,6-dichlorophenyl)-5-isopropyl-isoxazole4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazole
Database identifiers
- PubChem CID
- 59264875
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Related reactions
39 records
Compound notes
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