1,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-(4-iodophenyl)-
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Basic information
- CAS
40056-76-6- Standard SMILES
Clc1ccc(Cl)c(OCc2nnc(Nc3ccc(I)cc3)o2)c1- InChIKey
YOJXNRKAMMIHLY-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2IN3O2
- Average molar mass
- 462.1 g/mol
- Monoisotopic mass
- 460.91948
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-(4-iodophenyl)-
- IUPAC
- 5-[(2,5-dichlorophenoxy)methyl]-N-(4-iodophenyl)-1,3,4-oxadiazol-2-amine
Names & synonyms
BRN 10399031,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-(4-iodophenyl)-40056-76-6DTXSID101931195-((2,5-Dichlorophenoxy)methyl)-N-(4-iodophenyl)-1,3,4-oxadiazol-2-amine5-[(2,5-dichlorophenoxy)methyl]-n-(4-iodophenyl)-1,3,4-oxadiazol-2-amineRefChem:216856DTXCID70115610
Database identifiers
- CAS
40056-76-6- PubChem CID
- 218040
- DTXSID
DTXSID10193119
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 375
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Compound notes
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