2-(4-Bromophenyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
Basic information
- CAS
312290-45-2- Standard SMILES
Clc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)c(Cl)c1- InChIKey
VSIJEMLQRVPQLN-UHFFFAOYSA-N- Molecular formula
- C14H7BrCl2N2O
- Average molar mass
- 370 g/mol
- Monoisotopic mass
- 367.91188
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
- IUPAC
- 2-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
Names & synonyms
2-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazoleDTXSID401196050312290-45-2AG-205/11298215SR-01000520267SR-01000520267-1
Database identifiers
- CAS
312290-45-2- PubChem CID
- 37967972
- DTXSID
DTXSID401196050
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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