4-(5-METHYL-3,4-DINITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID METHYL ESTER (CAS 402739-42-8) — formula C13H12N4O6, molecular weight 320.26; category organic chemicals.
| CAS Number | 402739-42-8 |
|---|---|
| Molecular Formula | C13H12N4O6 |
| Molecular Weight | 320.26 |
| LogP | 2.1 |
| Category | Organic Chemicals |
4-(5-METHYL-3,4-DINITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID METHYL ESTER is a carbon-based organic compound with CAS registry number 402739-42-8 and molecular formula C13H12N4O6 (molecular weight 320.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 402739-42-8
Its molecular formula C13H12N4O6 comprises 13 C, 12 H, 4 N, 6 O atoms.
Also known as: 4-(5-METHYL-3,4-DINITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID METHYL ESTER · 4-(5-甲基-3,4-二硝基-吡唑-1-甲基)-苯甲酸甲酯
Category: organic chemicals
The CAS registry number of 4-(5-METHYL-3,4-DINITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID METHYL ESTER is 402739-42-8.
Molecular formula C13H12N4O6, molecular weight 320.26.
It is also registered under: 4-(5-METHYL-3,4-DINITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID METHYL ESTER, 4-(5-甲基-3,4-二硝基-吡唑-1-甲基)-苯甲酸甲酯.
Category: Organic Chemicals.
Independent reference data for 4-(5-METHYL-3,4-DINITRO-PYRAZOL-1-YLMETHYL)-BENZOIC ACID METHYL ESTER (CAS 402739-42-8), compiled from public chemistry databases.
| CAS 号 | 402739-42-8 |
|---|---|
| PubChem CID | 4549221 |
| 分子式 | C13H12N4O6 |
| IUPAC 名称 | methyl 4-[(5-methyl-3,4-dinitropyrazol-1-yl)methyl]benzoate |
| UNII（FDA） | ST45156920 |
| Molecular Weight | 320.26 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 320.07568412 |
| Monoisotopic Mass | 320.07568412 |
| Topological Polar Surface Area | 136 |
| Heavy Atom Count | 23 |
4-(5-Methyl-3,4-dinitro-pyrazol-1-ylmethyl)-benzoic acid methyl ester; 402739-42-8; methyl 4-[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate; methyl 4-[(5-methyl-3,4-dinitropyrazolyl)methyl]benzoate; Oprea1_868565; SBB021271; STK298476; AKOS000305744; ST45156920
4-(5-甲基-3,4-二硝基-吡唑-1-甲基)-苯甲酸甲酯 · CAS 402739-42-8 · C13H12N4O6. UNII ST45156920.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.