3-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzoicacid (CAS 402616-78-8) — formula C12H10ClN3O4, molecular weight 295.68; category organic chemicals.
| CAS Number | 402616-78-8 |
|---|---|
| Molecular Formula | C12H10ClN3O4 |
| Molecular Weight | 295.68 |
| LogP | 2.5 |
| Category | Organic Chemicals |
3-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzoicacid is a carbon-based organic compound with CAS registry number 402616-78-8 and molecular formula C12H10ClN3O4 (molecular weight 295.68), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 402616-78-8
Its molecular formula C12H10ClN3O4 comprises 12 C, 10 H, 1 Cl, 3 N, 4 O atoms.
Also known as: 3-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzoicacid · 3-({4-氯-3-硝基-5-甲基-1H-吡唑-1-基}甲基)苯甲酸
Category: organic chemicals
The CAS registry number of 3-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzoicacid is 402616-78-8.
Molecular formula C12H10ClN3O4, molecular weight 295.68.
It is also registered under: 3-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzoicacid, 3-({4-氯-3-硝基-5-甲基-1H-吡唑-1-基}甲基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzoicacid (CAS 402616-78-8), compiled from public chemistry databases.
| CAS 号 | 402616-78-8 |
|---|---|
| PubChem CID | 840114 |
| 分子式 | C12H10ClN3O4 |
| IUPAC 名称 | 3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid |
| UNII（FDA） | ST50279808 |
| Molecular Weight | 295.68 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 295.0359835 |
| Monoisotopic Mass | 295.0359835 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 20 |
402616-78-8; 3-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzoicacid; 3-[(4-chloro-5-methyl-3-nitropyrazolyl)methyl]benzoic acid; 3-((4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl)benzoic acid; 3-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid; 3-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid; STK090116; AKOS000672657; ST50279808; AK-968/37166223; SR-01000324398; SR-01000324398-1
3-({4-氯-3-硝基-5-甲基-1H-吡唑-1-基}甲基)苯甲酸 · CAS 402616-78-8 · C12H10ClN3O4. UNII ST50279808.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.