4-(3-Nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid (CAS 402720-88-1) — formula C10H8N4O4, molecular weight 248.19; category organic chemicals.
| CAS Number | 402720-88-1 |
|---|---|
| Molecular Formula | C10H8N4O4 |
| Molecular Weight | 248.19 |
| LogP | 0.6 |
| Category | Organic Chemicals |
4-(3-Nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid is a carbon-based organic compound with CAS registry number 402720-88-1 and molecular formula C10H8N4O4 (molecular weight 248.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 402720-88-1
Its molecular formula C10H8N4O4 comprises 10 C, 8 H, 4 N, 4 O atoms.
Also known as: 4-(3-Nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid · 4-(3-硝基-[1,2,4]三唑-1-基甲基)-苯甲酸
Category: organic chemicals
The CAS registry number of 4-(3-Nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid is 402720-88-1.
Molecular formula C10H8N4O4, molecular weight 248.19.
It is also registered under: 4-(3-Nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid, 4-(3-硝基-[1,2,4]三唑-1-基甲基)-苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-(3-Nitro-[1,2,4]triazol-1-ylmethyl)-benzoic acid (CAS 402720-88-1), compiled from public chemistry databases.
| CAS 号 | 402720-88-1 |
|---|---|
| PubChem CID | 931157 |
| 分子式 | C10H8N4O4 |
| IUPAC 名称 | 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid |
| UNII（FDA） | ST45161618 |
| Molecular Weight | 248.19 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 248.05455475 |
| Monoisotopic Mass | 248.05455475 |
| Topological Polar Surface Area | 114 |
| Heavy Atom Count | 18 |
4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoic acid; 402720-88-1; 4-((3-Nitro-1H-1,2,4-triazol-1-yl)methyl)benzoic acid; RefChem:509233; 982-137-4; MFCD01114882; 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid; 4-[(3-nitro-1,2,4-triazolyl)methyl]benzoic acid; Oprea1_237974; CRA72088; SBB009240; STK033894; AKOS000307649; AKOS015921934; AKOS025213735; CS-0262703
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
4-(3-硝基-[1,2,4]三唑-1-基甲基)-苯甲酸 · CAS 402720-88-1 · C10H8N4O4. UNII ST45161618.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.