Basic information
- Standard SMILES
CC(C)(C)c1nn(-c2cc([N+](=O)[O-])ccc2Cl)c(=O)o1- InChIKey
RZLRGAUTTJNFRC-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O4
- Average molar mass
- 297.69 g/mol
- Monoisotopic mass
- 297.0516336
Names & identifiers
- Preferred name
- 3-(2-chloro-5-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-tert-butyl-3-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL9382271RZLRGAUTTJNFRC-UHFFFAOYSA-N3-(2-chloro-5-nitrophenyl)-5-(1,1-dimethylethyl) -1,3,4-oxadiazol-2(3H)-one3-(2-chloro-5-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- PubChem CID
- 14280656
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 455
Related reactions
5 records
Compound notes
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