5-Chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole
Basic information
- CAS
13551-76-3- Standard SMILES
Cc1nn(-c2ccccc2)c(Cl)c1[N+](=O)[O-]- InChIKey
YYQDMDSWWOTGCX-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O2
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0305042
Names & identifiers
- Preferred name
- 5-Chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole
- IUPAC
- 5-chloro-3-methyl-4-nitro-1-phenylpyrazole
- English name
- 5-chloro-3-Methyl-4-nitro-1-phenyl-1H-pyrazole
- Molecular formula
- C10H8ClN3O2
- Molecular weight
- 237.64
Names & synonyms
5-Chloro-3-methyl-4-nitro-1-phenyl-1H-pyrazole13551-76-3DTXSID00357283RefChem:302524DTXCID103083425-chloro-3-methyl-4-nitro-1-phenylpyrazole5-chloro-3-methyl-1-phenyl-4-nitropyrazoleSCHEMBL11754019YYQDMDSWWOTGCX-UHFFFAOYSA-NAKOS001848469CCG-139652DB-358896
Show more names
5-Chloro-3-methyl-4-nitro-1-phenyl-pyrazole1H-Pyrazole, 5-chloro-3-methyl-4-nitro-1-phenyl-
1-phenyl 3-methyl 4-nitro 5-chloro pyrazole5-chloro-4-nitro-3-methyl-1-phenyl-1H-pyrazoleAO-638/12176001
Database identifiers
- CAS
13551-76-3- PubChem CID
- 849360
- DTXSID
DTXSID00357283
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 372.8 · 372.8±37.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- -6.15 · -6.15±0.10(Predicted)
- Comptox DTXSID
- 357283 · DTXSID00357283
Related reactions
2 records
Compound notes
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