Basic information
- CAS
27704-12-7- Standard SMILES
O=C(O)c1ccccc1C=NNc1nnc(NN=Cc2ccccc2C(=O)O)c2ccccc12- InChIKey
VNYKNNRCIZLXTK-UHFFFAOYSA-N- Molecular formula
- C24H18N6O4
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 454.13895308
Names & identifiers
- Preferred name
- 2-[[[4-[2-[(2-Carboxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]benzoic acid
- IUPAC
- 2-[[[4-[2-[(2-carboxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]benzoic acid
Names & synonyms
27704-12-7DTXSID109504012,2'-[2,3-Dihydrophthalazine-1,4-diylidenebis(hydrazine-2,1-diylidenemethanylylidene)]dibenzoic acid2,2'-{2,3-Dihydrophthalazine-1,4-diylidenebis[(hydrazine-2,1-diylidene)methanylylidene]}dibenzoic acid
Database identifiers
- CAS
27704-12-7- PubChem CID
- 266263
- DTXSID
DTXSID10950401
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 700
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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