Basic information
- CAS
827332-78-5- Standard SMILES
Brc1ccccc1-c1noc(-c2ccccc2)n1- InChIKey
YNEFEUXUIWJXNR-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O
- Average molar mass
- 301.14 g/mol
- Monoisotopic mass
- 299.98983
Names & identifiers
- Preferred name
- 3-(2-Bromophenyl)-5-phenyl-1,2,4-oxadiazole
- IUPAC
- 3-(2-bromophenyl)-5-phenyl-1,2,4-oxadiazole
- English name
- 3-(2-Bromophenyl)-5-phenyl-1,2,4-oxadiazole
- Molecular formula
- C14H9BrN2O
- Molecular weight
- 301.14
Names & synonyms
3-(2-bromophenyl)-5-phenyl-1,2,4-oxadiazole827332-78-5MFCD08051773SCHEMBL28925303DTXSID10397857AKOS015835145BS-25920CS-02051961,2,4-Oxadiazole, 3-(2-bromophenyl)-5-phenyl-
Database identifiers
- CAS
827332-78-5- PubChem CID
- 3901904
- DTXSID
DTXSID10397857
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 428.8 · 428.8±47.0 °C(Predicted)
- Density
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.27 · -2.27±0.32(Predicted)
Chemistry & industry
Suppliers10 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]
南京圣亿来化工有限公司19951936396 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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