Basic information
- CAS
27389-45-3- Standard SMILES
Cc1cccc(-c2nnc(C(Cl)(Cl)Cl)o2)c1- InChIKey
LIYHUEBDAJJNIY-UHFFFAOYSA-N- Molecular formula
- C10H7Cl3N2O
- Average molar mass
- 277.5 g/mol
- Monoisotopic mass
- 275.962396
Names & identifiers
- Preferred name
- 2-(3-Methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
- IUPAC
- 2-(3-methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazole
Names & synonyms
27389-45-32-(3-methylphenyl)-5-(trichloromethyl)-1,3,4-oxadiazoleNSC157578SCHEMBL274950DTXSID60303261NSC-157578
Database identifiers
- CAS
27389-45-3- PubChem CID
- 291983
- DTXSID
DTXSID60303261
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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