3-NITRO-4-PYRROLIDIN-1-YL-BENZOIC ACID (CAS 40832-81-3) — formula C11H12N2O4, molecular weight 236.22; category organic chemicals.
| CAS Number | 40832-81-3 |
|---|---|
| Molecular Formula | C11H12N2O4 |
| Molecular Weight | 236.22 |
| LogP | 1.9 |
| Category | Organic Chemicals |
3-NITRO-4-PYRROLIDIN-1-YL-BENZOIC ACID is a carbon-based organic compound with CAS registry number 40832-81-3 and molecular formula C11H12N2O4 (molecular weight 236.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40832-81-3
Its molecular formula C11H12N2O4 comprises 11 C, 12 H, 2 N, 4 O atoms.
Also known as: 3-NITRO-4-PYRROLIDIN-1-YL-BENZOIC ACID · 3-硝基-4-(吡咯烷-1-基)苯甲酸
Category: organic chemicals
The CAS registry number of 3-NITRO-4-PYRROLIDIN-1-YL-BENZOIC ACID is 40832-81-3.
Molecular formula C11H12N2O4, molecular weight 236.22.
It is also registered under: 3-NITRO-4-PYRROLIDIN-1-YL-BENZOIC ACID, 3-硝基-4-(吡咯烷-1-基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-NITRO-4-PYRROLIDIN-1-YL-BENZOIC ACID (CAS 40832-81-3), compiled from public chemistry databases.
| CAS 号 | 40832-81-3 |
|---|---|
| PubChem CID | 3671930 |
| 分子式 | C11H12N2O4 |
| IUPAC 名称 | 3-nitro-4-pyrrolidin-1-ylbenzoic acid |
| UNII（FDA） | ST50407297 |
| Molecular Weight | 236.22 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 236.07970687 |
| Monoisotopic Mass | 236.07970687 |
| Topological Polar Surface Area | 86.4 |
| Heavy Atom Count | 17 |
40832-81-3; 3-nitro-4-(pyrrolidin-1-yl)benzoic acid; 3-nitro-4-pyrrolidin-1-ylbenzoic acid; 3-nitro-4-pyrrolidin-1-yl-benzoic Acid; 3-nitro-4-(1-pyrrolidinyl)benzoic acid; MFCD02112810; Cambridge id 6497810; Oprea1_270364; CHEMBL235167; SCHEMBL2773960; SCHEMBL31380218; DTXSID80394878; MKTQASLRSMDHRE-UHFFFAOYSA-N; 3-nitro-4-pyrrolidinylbenzoic acid; QBA83281; EBC-65174
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
3-硝基-4-(吡咯烷-1-基)苯甲酸 · CAS 40832-81-3 · C11H12N2O4. UNII ST50407297.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-硝基-4-(吡咯烷-1-基)苯甲酸