Basic information
- CAS
21520-98-9- Standard SMILES
CC(Oc1ccc(Cl)cc1)c1nnc(N)o1- InChIKey
PNVNVLYUDQSXPC-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3O2
- Average molar mass
- 239.66 g/mol
- Monoisotopic mass
- 239.0461543
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazol-2-amine, 5-(1-(4-chlorophenoxy)ethyl)-
- IUPAC
- 5-[1-(4-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine
Names & synonyms
21520-98-95-[1-(4-chlorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine5-(1-(4-Chlorophenoxy)ethyl)-1,3,4-oxadiazol-2-amineBRN 29829171,3,4-Oxadiazol-2-amine, 5-(1-(4-chlorophenoxy)ethyl)-RefChem:216876DTXSID40944131MFCD017106915-[1-(4-Chlorophenoxy)ethyl]-1,3,4-oxadiazol-2(3H)-imine
Database identifiers
- CAS
21520-98-9- PubChem CID
- 210702
- DTXSID
DTXSID40944131
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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