1-N,4-N-bis[(2-chloro-6-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
Basic information
- CAS
27702-31-4- Standard SMILES
O=[N+]([O-])c1cccc(Cl)c1C=NNc1nnc(NN=Cc2c(Cl)cccc2[N+](=O)[O-])c2ccccc12- InChIKey
NXNBZTZYLIWJIW-UHFFFAOYSA-N- Molecular formula
- C22H14Cl2N8O4
- Average molar mass
- 525.3 g/mol
- Monoisotopic mass
- 524.0515063
Names & identifiers
- Preferred name
- 1-N,4-N-bis[(2-chloro-6-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
- IUPAC
- 1-N,4-N-bis[(2-chloro-6-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
Names & synonyms
27702-31-4DTXSID309503871,4-Bis{[(2-chloro-6-nitrophenyl)methylidene]hydrazinylidene}-1,2,3,4-tetrahydrophthalazine
Database identifiers
- CAS
27702-31-4- PubChem CID
- 3405502
- DTXSID
DTXSID30950387
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 759
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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