Basic information
- Standard SMILES
Cc1cccc(C=Cc2nc(CCl)co2)c1- InChIKey
QXFUTINHOMPYKH-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO
- Average molar mass
- 233.69 g/mol
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-oxazole
- IUPAC
- 4-(chloromethyl)-2-[2-(3-methylphenyl)ethenyl]-1,3-oxazole
Names & synonyms
SCHEMBL6582275
Database identifiers
- PubChem CID
- 69830255
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Related reactions
2 records
Compound notes
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