Basic information
- Standard SMILES
CC(Cl)c1cc(C(C)(C)C)on1- InChIKey
SCNLWBXAHHSHQB-UHFFFAOYSA-N- Molecular formula
- C9H14ClNO
- Average molar mass
- 187.66 g/mol
Names & identifiers
- Preferred name
- 3-(1-Chloroethyl)-5-t-butylisoxazole
- IUPAC
- 5-tert-butyl-3-(1-chloroethyl)-1,2-oxazole
Names & synonyms
SCHEMBL3760684SCNLWBXAHHSHQB-UHFFFAOYSA-N3-(1-chloroethyl)-5-t-butylisoxazole
Database identifiers
- PubChem CID
- 57736302
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Related reactions
2 records
Compound notes
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