2H-Tetrazolium, 3-(4-chlorophenyl)-2-(2-hydroxybenzoyl)-5-(2-hydroxyphenyl)-, iodide
Basic information
- CAS
89567-96-4- Standard SMILES
O=C1C=CCC=C1C1=[NH+]N(c2ccc(Cl)cc2)N(C(=O)c2ccccc2O)N1.[I-]- InChIKey
GBPBGLAMQGUQOC-UHFFFAOYSA-N- Molecular formula
- C20H16ClIN4O3
- Average molar mass
- 522.7 g/mol
- Monoisotopic mass
- 521.99557
Names & identifiers
- Preferred name
- 2H-Tetrazolium, 3-(4-chlorophenyl)-2-(2-hydroxybenzoyl)-5-(2-hydroxyphenyl)-, iodide
- IUPAC
- 2-[3-(4-chlorophenyl)-2-(2-hydroxybenzoyl)-1H-tetrazol-4-ium-5-yl]cyclohexa-2,5-dien-1-one iodide
Names & synonyms
89567-96-42H-Tetrazolium, 3-(4-chlorophenyl)-2-(2-hydroxybenzoyl)-5-(2-hydroxyphenyl)-, iodide3-(4-Chlorophenyl)-2-(2-hydroxybenzoyl)-5-(2-hydroxyphenyl)-2H-tetrazolium iodideRefChem:269253
Database identifiers
- CAS
89567-96-4- PubChem CID
- 129011853
Properties
Computed structural properties
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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