Picolinic acid, 5-(p-chlorophenoxy)-, calcium salt (2:1)
Basic information
- CAS
72133-64-3- Standard SMILES
O=C([O-])c1ccc(Oc2ccc(Cl)cc2)cn1.O=C([O-])c1ccc(Oc2ccc(Cl)cc2)cn1.[Ca+2]- InChIKey
BILOCQRXJYLUHR-UHFFFAOYSA-L- Molecular formula
- C24H14CaCl2N2O6
- Average molar mass
- 537.4 g/mol
- Monoisotopic mass
- 535.9854824
Names & identifiers
- Preferred name
- Picolinic acid, 5-(p-chlorophenoxy)-, calcium salt (2:1)
- IUPAC
- calcium bis(5-(4-chlorophenoxy)pyridine-2-carboxylate)
Names & synonyms
Picolinic acid, 5-(p-chlorophenoxy)-, calcium salt (2:1)5-(p-Chlorophenoxy)picolinic acid calcium salt (2:1)72133-64-32-Pyridinecarboxylic acid, 5-(4-chlorophenoxy)-, calcium saltDTXSID70222459RefChem:371649DTXCID20144950Calcium bis[5-(4-chlorophenoxy)pyridine-2-carboxylate]
Database identifiers
- CAS
72133-64-3- PubChem CID
- 3055239
- DTXSID
DTXSID70222459
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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