Basic information
- CAS
421581-70-6- Standard SMILES
O=[N+]([O-])c1cccc(-c2noc(-c3ccc(F)cc3)n2)c1- InChIKey
PHSKMUVSVYQIRN-UHFFFAOYSA-N- Molecular formula
- C14H8FN3O3
- Average molar mass
- 285.23 g/mol
- Monoisotopic mass
- 285.05496929
Overview
Five membered rings containing a NITROGEN atom.
Names & identifiers
- Preferred name
- Azoles
- IUPAC
- 5-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
- English name
- Azoles
- Molecular formula
- C14H8FN3O3
- Molecular weight
- 285.23
Names & synonyms
421581-70-6AzolesRefChem:3888175-(4-fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazoleMFCD03142768Cambridge id 6767136DTXSID90351417STK140413AKOS001657153BS-28055CS-0210254F212818
Show more names
2-Acetyl-7-methylbenzofuran1-(7-Bromobenzofuran-2-yl)ethanone5-Ethyl-3-p-tolyl-1,2,4-oxadiazole5-Methyl-3-p-tolyl-1,2,4-oxadiazole5-Propyl-3-p-tolyl-1,2,4-oxadiazole5-Methyl-3-(p-tolyl)-1,2,4-oxadiazole5-Propyl-3-(p-tolyl)-1,2,4-oxadiazole5-Cyclohexyl-3-p-tolyl-1,2,4-oxadiazole5-tert-Butyl-3-p-tolyl-1,2,4-oxadiazole
SR-01000496544SR-01000496544-15-(4-Fluorophenyl)-3-(3-nitrophenyl)-124-oxadiazole
Database identifiers
- CAS
421581-70-6- PubChem CID
- 699591
- DTXSID
DTXSID90351417
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
- 371
Physicochemical properties
- Boiling point
- 446.8 · 446.8±55.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.78 · -2.78±0.37(Predicted)
- CAS DataBase Reference
- 421581 · 421581-70-6
- 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
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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]
上海合寰化工科技有限公司18621911604 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
镇江博润生物医药科技有限公司15862994627 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [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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