Basic information
- CAS
83725-79-5- Standard SMILES
O=c1[nH]nc(-c2ccccc2[N+](=O)[O-])o1- InChIKey
ZJSUVFMYVANOMJ-UHFFFAOYSA-N- Molecular formula
- C8H5N3O4
- Average molar mass
- 207.14 g/mol
- Monoisotopic mass
- 207.02800564
Names & identifiers
- Preferred name
- 5-(2-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
- IUPAC
- 5-(2-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
- English name
- 5-(2-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-one
- Molecular formula
- C8H5N3O4
- Molecular weight
- 207.14
Names & synonyms
83725-79-55-(2-nitrophenyl)-3H-1,3,4-oxadiazol-2-one5-(2-Nitrophenyl)-1,3,4-oxadiazol-2(3H)-one1,3,4-Oxadiazol-2(3H)-one, 5-(2-nitrophenyl)-NSC-2252445-(2-nitrophenyl)-1,3,4-oxadiazole-2(3H)-oneNSC225244PUT6DJX6ZGSCHEMBL39405705-(2-nitrophenyl)-2,3-dihydro-1,3,4-oxadiazol-2-oneDTXSID60310319ZJSUVFMYVANOMJ-UHFFFAOYSA-N
Show more names
IDA72579AKOS013512774NSC 225244BS-32842DB-316846CS-02103662-(2-nitrophenyl)-1,3,4-oxadiazolin-5-oneEN300-140602
Database identifiers
- CAS
83725-79-5- PubChem CID
- 312921
- DTXSID
DTXSID60310319- UNII
- PUT6DJX6ZG
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- FDA UNII
- 6 DJX6ZG · PUT6DJX6ZG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
7 records
Compound notes
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