5-(6-Chloro-2H-indol-2-ylidene)-1,3,4-oxadiazolidin-2-one
Basic information
- CAS
87802-18-4- Standard SMILES
O=c1[nH]nc(-c2cc3ccc(Cl)cc3[nH]2)o1- InChIKey
XHEQJBGJCHQUFA-UHFFFAOYSA-N- Molecular formula
- C10H6ClN3O2
- Average molar mass
- 235.62 g/mol
- Monoisotopic mass
- 235.0148541
Names & identifiers
- Preferred name
- 5-(6-Chloro-2H-indol-2-ylidene)-1,3,4-oxadiazolidin-2-one
- IUPAC
- 5-(6-chloro-1H-indol-2-yl)-3H-1,3,4-oxadiazol-2-one
Names & synonyms
87802-18-4DTXSID208316765-(6-Chloro-1H-indol-2-yl)-1,3,4-oxadiazol-2(3H)-one5-(6-Chloro-2H-indol-2-ylidene)-1,3,4-oxadiazolidin-2-one
Database identifiers
- CAS
87802-18-4- PubChem CID
- 136258129
- DTXSID
DTXSID20831676
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
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