3-((3-NITRO-1H-PYRAZOL-1-YL)METHYL)BENZOIC ACID (CAS 402729-32-2) — formula C11H9N3O4, molecular weight 247.21; category organic chemicals.
| CAS Number | 402729-32-2 |
|---|---|
| Molecular Formula | C11H9N3O4 |
| Molecular Weight | 247.21 |
| LogP | 1.5 |
| Category | Organic Chemicals |
3-((3-NITRO-1H-PYRAZOL-1-YL)METHYL)BENZOIC ACID is a carbon-based organic compound with CAS registry number 402729-32-2 and molecular formula C11H9N3O4 (molecular weight 247.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 402729-32-2
Its molecular formula C11H9N3O4 comprises 11 C, 9 H, 3 N, 4 O atoms.
Also known as: 3-((3-NITRO-1H-PYRAZOL-1-YL)METHYL)BENZOIC ACID · 3-[(3-硝基-1H-吡唑-1-基)甲基]苯甲酸
Category: organic chemicals
The CAS registry number of 3-((3-NITRO-1H-PYRAZOL-1-YL)METHYL)BENZOIC ACID is 402729-32-2.
Molecular formula C11H9N3O4, molecular weight 247.21.
It is also registered under: 3-((3-NITRO-1H-PYRAZOL-1-YL)METHYL)BENZOIC ACID, 3-[(3-硝基-1H-吡唑-1-基)甲基]苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-((3-NITRO-1H-PYRAZOL-1-YL)METHYL)BENZOIC ACID (CAS 402729-32-2), compiled from public chemistry databases.
| CAS 号 | 402729-32-2 |
|---|---|
| PubChem CID | 819609 |
| 分子式 | C11H9N3O4 |
| IUPAC 名称 | 3-[(3-nitropyrazol-1-yl)methyl]benzoic acid |
| UNII（FDA） | ST45161610 |
| Molecular Weight | 247.21 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 247.05930578 |
| Monoisotopic Mass | 247.05930578 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 18 |
3-[(3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid; 402729-32-2; 3-((3-Nitro-1H-pyrazol-1-yl)methyl)benzoic acid; 3-[(3-nitropyrazol-1-yl)methyl]benzoic acid; 3-({3-nitro-1H-pyrazol-1-yl}methyl)benzoic acid; 3-[(3-nitropyrazolyl)methyl]benzoic acid; MFCD01114893; CRA72932; SBB019684; STK095790; AKOS000304323; CCG-116629; CS-0264423; ST45161610; EN300-92765; 3-((3-Nitro-1H-pyrazol-1-yl)methyl)benzoicacid
3-[(3-硝基-1H-吡唑-1-基)甲基]苯甲酸 · CAS 402729-32-2 · C11H9N3O4. UNII ST45161610.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.