Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1CCl- InChIKey
JWKCILZSCSQYSH-UHFFFAOYSA-N- Molecular formula
- C11H10ClNO
- Average molar mass
- 207.65 g/mol
Names & identifiers
- Preferred name
- Isoxazole, 4-(chloromethyl)-5-methyl-3-phenyl-
- IUPAC
- 4-(chloromethyl)-5-methyl-3-phenyl-1,2-oxazole
Names & synonyms
18718-83-7Isoxazole, 4-(chloromethyl)-5-methyl-3-phenyl-4-(chloromethyl)-5-methyl-3-phenylisoxazoleSCHEMBL195699JWKCILZSCSQYSH-UHFFFAOYSA-N4-Chloromethyl-5-methyl-3-phenyl-isoxazoleDB-198365
Database identifiers
- PubChem CID
- 11052826
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Related reactions
25 records
Compound notes
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