Basic information
- CAS
68298-27-1- Standard SMILES
O=C(O)c1cccc(C(=O)O)c1.c1ccc(-n2ccnc2)cc1.c1ccc(-n2ccnc2)cc1- InChIKey
UVFXIEUMFZVPND-UHFFFAOYSA-N- Molecular formula
- C26H22N4O4
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.1641052
Names & identifiers
- Preferred name
- 1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2)
- IUPAC
- benzene-1,3-dicarboxylic acid;bis(1-phenylimidazole)
Names & synonyms
68298-27-1EINECS 269-550-9DTXSID0071382RefChem:72440DTXCID0045834Isophthalic acid, compound with 1-phenyl-1H-imidazole (1:2)NS00090649Benzene-1,3-dicarboxylic acid--1-phenyl-1H-imidazole (1/2)
Database identifiers
- CAS
68298-27-1- PubChem CID
- 109983
- DTXSID
DTXSID0071382- EC Number
- 269-550-9
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 298
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedicarboxylic acid, compd. with 1-phenyl-1H-imidazole (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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