1,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-2-propenyl-
Basic information
- CAS
40056-72-2- Standard SMILES
C=CCNc1nnc(COc2cc(Cl)ccc2Cl)o1- InChIKey
XYEQOWWSDCPMRM-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2N3O2
- Average molar mass
- 300.14 g/mol
- Monoisotopic mass
- 299.022832
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-2-propenyl-
- IUPAC
- 5-[(2,5-dichlorophenoxy)methyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
Names & synonyms
BRN 10196845-((2,5-Dichlorophenoxy)methyl)-N-2-propenyl-1,3,4-oxadiazol-2-amine40056-72-21,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-2-propenyl-RefChem:216859DTXSID909605085-[(2,5-Dichlorophenoxy)methyl]-N-(prop-2-en-1-yl)-1,3,4-oxadiazol-2(3H)-imine
Database identifiers
- CAS
40056-72-2- PubChem CID
- 218037
- DTXSID
DTXSID90960508
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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