Basic information
- CAS
63989-83-3- Standard SMILES
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-].Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-].[Ba+2]- InChIKey
IPTLYQVVKJEQQW-UHFFFAOYSA-L- Molecular formula
- C14H10BaN4O10
- Average molar mass
- 531.58 g/mol
- Monoisotopic mass
- 531.94494
Names & identifiers
- Preferred name
- o-Cresol, 4,6-dinitro-, barium derivative
- IUPAC
- barium(2+);bis(2-methyl-4,6-dinitrophenolate)
Names & synonyms
4,6-Dinitro-o-cresol barium derivativeo-CRESOL, 4,6-DINITRO-, BARIUM DERIVATIVE63989-83-3DTXSID70213923RefChem:366397DTXCID00136414Barium bis(2-methyl-4,6-dinitrophenolate)
Database identifiers
- CAS
63989-83-3- PubChem CID
- 46157
- DTXSID
DTXSID70213923
Properties
Computed structural properties
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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