Basic information
- CAS
693236-20-3- Standard SMILES
O=[N+]([O-])c1cccc(-c2noc(-c3ccccc3F)n2)c1- InChIKey
FKZRTJZTUNWGLX-UHFFFAOYSA-N- Molecular formula
- C14H8FN3O3
- Average molar mass
- 285.23 g/mol
- Monoisotopic mass
- 285.05496929
Names & identifiers
- Preferred name
- 5-(2-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
- IUPAC
- 5-(2-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
- English name
- 5-(2-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
- Molecular formula
- C14H8FN3O3
- Molecular weight
- 285.23
Names & synonyms
5-(2-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole693236-20-3MFCD03723873DTXSID00358391STK321504AKOS003338309BS-23289CS-02128651,2,4-Oxadiazole, 5-(2-fluorophenyl)-3-(3-nitrophenyl)-
Database identifiers
- CAS
693236-20-3- PubChem CID
- 892188
- DTXSID
DTXSID00358391
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 453.5 · 453.5±55.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -4 · -4.00±0.50(Predicted)
Chemistry & industry
Suppliers8 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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