Basic information
- CAS
52182-88-4- Standard SMILES
CC1=NN=C(C)C1=Cc1ccccc1[N+](=O)[O-]- InChIKey
KUIGAWURIBZCFH-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.0851266
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazole
- IUPAC
- 3,5-dimethyl-4-[(2-nitrophenyl)methylidene]pyrazole
Names & synonyms
52182-88-4NSC2856773,5-Dimethyl-4-[(2-nitrophenyl)methylidene]-4H-pyrazoleDTXSID30314561NSC-285677DS-0053904H-PYRAZOLE,3,5-DIMETHYL-4-[(2-NITROPHENYL)METHYLENE]-
Database identifiers
- CAS
52182-88-4- PubChem CID
- 323641
- DTXSID
DTXSID30314561
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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