5-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER (CAS 402617-00-9) — formula C12H13N3O5, molecular weight 279.25; category organic chemicals.
| CAS Number | 402617-00-9 |
|---|---|
| Molecular Formula | C12H13N3O5 |
| Molecular Weight | 279.25 |
| LogP | 1.7 |
| Category | Organic Chemicals |
5-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER is a carbon-based organic compound with CAS registry number 402617-00-9 and molecular formula C12H13N3O5 (molecular weight 279.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 402617-00-9
Its molecular formula C12H13N3O5 comprises 12 C, 13 H, 3 N, 5 O atoms.
Also known as: 5-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER · 5-(3,5-二甲基-4-硝基-吡唑-1-甲基)-呋喃-2-羧酸甲酯
Category: organic chemicals
The CAS registry number of 5-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER is 402617-00-9.
Molecular formula C12H13N3O5, molecular weight 279.25.
It is also registered under: 5-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER, 5-(3,5-二甲基-4-硝基-吡唑-1-甲基)-呋喃-2-羧酸甲酯.
Category: Organic Chemicals.
Independent reference data for 5-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YLMETHYL)-FURAN-2-CARBOXYLIC ACID METHYL ESTER (CAS 402617-00-9), compiled from public chemistry databases.
| CAS 号 | 402617-00-9 |
|---|---|
| PubChem CID | 948805 |
| 分子式 | C12H13N3O5 |
| IUPAC 名称 | methyl 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carboxylate |
| UNII（FDA） | HMS2688I18 |
| Molecular Weight | 279.25 |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 279.08552052 |
| Monoisotopic Mass | 279.08552052 |
| Topological Polar Surface Area | 103 |
| Heavy Atom Count | 20 |
402617-00-9; 5-(3,5-Dimethyl-4-nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic acid methyl ester; methyl 5-[(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)methyl]-2-furoate; Methyl 5-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)furan-2-carboxylate; methyl 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carboxylate; methyl 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxylate; MFCD02055732; Oprea1_103388; MLS000718279; CHEMBL1611327; DTXSID901319623; HMS2688I18; CRA61700; SBB009197; STK298478; AKOS000304296
5-(3,5-二甲基-4-硝基-吡唑-1-甲基)-呋喃-2-羧酸甲酯 · CAS 402617-00-9 · C12H13N3O5. UNII HMS2688I18.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.