2D Chemical StructureDatabase ID 840114
No renderable structure data available
SMILES
CC1=C(C(=NN1CC2=CC(=CC=C2)C(=O)O)[N+](=O)[O-])ClStructure data verified · Database ID 840114
Chemical Intermediate
3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid
CAS 402616-78-8Product ID 414124
| Intermediates | 3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 402616-78-8 |
| Database ID | 840114 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid
3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid (CAS 402616-78-8) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number402616-78-8
Database ID840114
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 840114
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC1=C(C(=NN1CC2=CC(=CC=C2)C(=O)O)[N+](=O)[O-])Cl
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 402616-78-83-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid
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