Basic information
- CAS
6813-05-4- Standard SMILES
C=c1[nH]n(-c2ccc(C)cc2)c(=O)c1=CNc1cc([N+](=O)[O-])ccc1Cl- InChIKey
OQRUAXSHKQHECG-UHFFFAOYSA-N- Molecular formula
- C18H15ClN4O3
- Average molar mass
- 370.8 g/mol
- Monoisotopic mass
- 370.083268
Names & identifiers
- Preferred name
- 4-[(2-Chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
- IUPAC
- 4-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
Names & synonyms
DTXSID504094884-[(2-chloro-5-nitroanilino)methylidene]-5-methylidene-2-(4-methylphenyl)pyrazolidin-3-one
Database identifiers
- CAS
6813-05-4- PubChem CID
- 5200744
- DTXSID
DTXSID50409488
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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