Basic information
- CAS
926191-64-2- Standard SMILES
COc1cc(-c2nnc(Br)o2)cc(OC)c1OC- InChIKey
KBGWKZBMLDLTLG-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2O4
- Average molar mass
- 315.12 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
- IUPAC
- 2-bromo-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
- English name
- 2-Bromo-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
- Molecular formula
- C11H11BrN2O4
- Molecular weight
- 315.12
Names & synonyms
2-bromo-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole926191-64-2BMB19164AKOS000123466CS-0245655EN300-308271,3,4-Oxadiazole, 2-bromo-5-(3,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
926191-64-2
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 415.7 · 415.7±55.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- pka
- -6.52 · -6.52±0.50(Predicted)
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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