1,3-Dimethyl-4-(2-nitroethenyl)-5-phenoxy-1H-pyrazole
Basic information
- CAS
477710-91-1- Standard SMILES
Cc1nn(C)c(Oc2ccccc2)c1C=C[N+](=O)[O-]- InChIKey
RDEOPWIRRUUEGY-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- 1,3-Dimethyl-4-(2-nitroethenyl)-5-phenoxy-1H-pyrazole
- IUPAC
- 1,3-dimethyl-4-(2-nitroethenyl)-5-phenoxypyrazole
Names & synonyms
1,3-Dimethyl-4-(2-nitroethenyl)-5-phenoxy-1H-pyrazoleOprea1_331434DTXSID201214204AKOS030244301
Database identifiers
- CAS
477710-91-1- PubChem CID
- 3544503
- DTXSID
DTXSID201214204
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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