3-((4-Chloro-3,5-dimethylphenoxy)methyl)-5-(chloromethyl)-1,2,4-oxadiazole
Basic information
- CAS
263016-09-7- Standard SMILES
Cc1cc(OCc2noc(CCl)n2)cc(C)c1Cl- InChIKey
ZXEJDCREXXOYLY-UHFFFAOYSA-N- Molecular formula
- C12H12Cl2N2O2
- Average molar mass
- 287.14 g/mol
- Monoisotopic mass
- 286.027583
Names & identifiers
- Preferred name
- 3-((4-Chloro-3,5-dimethylphenoxy)methyl)-5-(chloromethyl)-1,2,4-oxadiazole
- IUPAC
- 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-(chloromethyl)-1,2,4-oxadiazole
- English name
- 3-[(4-Chloro-3,5-dimethylphenoxy)methyl]-5-(chloromethyl)-1,2,4-oxadiazole
- Molecular formula
- C12H12Cl2N2O2
- Molecular weight
- 287.14
Names & synonyms
3-[(4-Chloro-3,5-dimethylphenoxy)methyl]-5-(chloromethyl)-1,2,4-oxadiazole263016-09-73-((4-Chloro-3,5-dimethylphenoxy)methyl)-5-(chloromethyl)-1,2,4-oxadiazoleRefChem:272964ZXEJDCREXXOYLY-UHFFFAOYSA-NDTXSID801144544
Database identifiers
- CAS
263016-09-7- PubChem CID
- 593254
- DTXSID
DTXSID801144544
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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