Basic information
- CAS
82497-99-2- Standard SMILES
O=C([O-])C(=O)[O-].O=c1oc2ccccc2n1CNc1ccccc1.O=c1oc2ccccc2n1CNc1ccccc1.[Ni+2]- InChIKey
ZQYYCQQFVBPHGK-UHFFFAOYSA-L- Molecular formula
- C30H24N4NiO8
- Average molar mass
- 627.2 g/mol
- Monoisotopic mass
- 626.094755
Names & identifiers
- Preferred name
- Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-
- IUPAC
- bis(3-(anilinomethyl)-1,3-benzoxazol-2-one);nickel(2+);oxalate
Names & synonyms
82497-99-2Nickel, (ethanedioato(2-)-O,O')bis(3-((phenylamino)methyl)-2(3H)-benzoxazolone-N(sup N(sup 3),O(sup 2))-DTXSID20231778RefChem:365528DTXCID50154269Nickel(2+) ethanedioate--3-(anilinomethyl)-1,3-benzoxazol-2(3H)-one (1/1/2)
Database identifiers
- CAS
82497-99-2- PubChem CID
- 3067945
- DTXSID
DTXSID20231778
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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