5-Methyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
Basic information
- CAS
25283-98-1- Standard SMILES
Cc1nc(-c2cccc([N+](=O)[O-])c2)no1- InChIKey
ZGPVCGAEIHFMLX-UHFFFAOYSA-N- Molecular formula
- C9H7N3O3
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.04874109
Names & identifiers
- Preferred name
- 5-Methyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
- IUPAC
- 5-methyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
Names & synonyms
5-methyl-3-(3-nitrophenyl)-1,2,4-oxadiazole25283-98-1RefChem:304122SCHEMBL16435278AKOS000617902CS-0251688EU-0017581ST50249681EN300-55775G34124SR-01000511065SR-01000511065-1
Show more names
Z111828096
Database identifiers
- CAS
25283-98-1- PubChem CID
- 684099
- Nikkaji
- J948.629A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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