3-(3-Nitrophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
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Basic information
- Standard SMILES
O=[N+]([O-])c1cccc(-c2noc(C(F)(F)F)n2)c1- InChIKey
SFWRWZSCYBJCMH-UHFFFAOYSA-N- Molecular formula
- C9H4F3N3O3
- Average molar mass
- 259.14 g/mol
Names & identifiers
- Preferred name
- 3-(3-Nitrophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
- IUPAC
- 3-(3-nitrophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
Names & synonyms
3-(3-Nitrophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazoleSCHEMBL2226996CCG-55242STK321931AKOS000617901ST4062871EU-0019230SR-01000532747SR-01000532747-1SR-01000532747-23-(3-nitrophenyl)-5-trifluoromethyl-1,2,4-oxadiazole
Database identifiers
- PubChem CID
- 550571
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Related reactions
1 records
Compound notes
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