Basic information
- CAS
54042-93-2- Standard SMILES
C=CCc1noc(CCl)n1- InChIKey
WZAUNAWFQDAJAQ-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O
- Average molar mass
- 158.58 g/mol
- Monoisotopic mass
- 158.02469052
Names & identifiers
- Preferred name
- 5-(Chloromethyl)-3-(prop-2-en-1-yl)-1,2,4-oxadiazole
- IUPAC
- 5-(chloromethyl)-3-prop-2-enyl-1,2,4-oxadiazole
Names & synonyms
54042-93-2SCHEMBL95917805-(Chloromethyl)-3-(prop-2-en-1-yl)-1,2,4-oxadiazoleDTXSID30600032WZAUNAWFQDAJAQ-UHFFFAOYSA-NAKOS0063828663-allyl-5-chloromethyl-1,2,4-oxadiazole
Database identifiers
- CAS
54042-93-2- PubChem CID
- 19797130
- DTXSID
DTXSID30600032
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Related reactions
2 records
Compound notes
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