Basic information
- CAS
54778-18-6- Standard SMILES
O=[N+]([O-])c1ccc(NN=Cc2c(Cl)n(-c3ccccc3)c3ccccc23)c([N+](=O)[O-])c1- InChIKey
AWKCSEAUFJEXAL-UHFFFAOYSA-N- Molecular formula
- C21H14ClN5O4
- Average molar mass
- 435.8 g/mol
- Monoisotopic mass
- 435.0734316
Names & identifiers
- Preferred name
- N-[(2-chloro-1-phenylindol-3-yl)methylideneamino]-2,4-dinitroaniline
- IUPAC
- N-[(2-chloro-1-phenylindol-3-yl)methylideneamino]-2,4-dinitroaniline
Names & synonyms
54778-18-6N-[(2-chloro-1-phenylindol-3-yl)methylideneamino]-2,4-dinitroanilineDTXSID003132632-Chloro-3-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-1-phenyl-1H-indole
Database identifiers
- CAS
54778-18-6- PubChem CID
- 320476
- DTXSID
DTXSID00313263
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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