2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid (CAS 31185-80-5) — formula C11H8ClN3O2, molecular weight 249.65; category organic chemicals.
| CAS Number | 31185-80-5 |
|---|---|
| Molecular Formula | C11H8ClN3O2 |
| Molecular Weight | 249.65 |
| LogP | 3.1 |
| Category | Organic Chemicals |
2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid is a carbon-based organic compound with CAS registry number 31185-80-5 and molecular formula C11H8ClN3O2 (molecular weight 249.65), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31185-80-5
Its molecular formula C11H8ClN3O2 comprises 11 C, 8 H, 1 Cl, 3 N, 2 O atoms.
Also known as: 2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid · 2-氯-4-(邻-羧基苯基)嘧啶
Category: organic chemicals
The CAS registry number of 2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid is 31185-80-5.
Molecular formula C11H8ClN3O2, molecular weight 249.65.
It is also registered under: 2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid, 2-氯-4-(邻-羧基苯基)嘧啶.
Category: Organic Chemicals.
Independent reference data for 2-[(2-Chloro-4-pyrimidinyl)amino]-benzoic acid (CAS 31185-80-5), compiled from public chemistry databases.
| CAS 号 | 31185-80-5 |
|---|---|
| PubChem CID | 1933457 |
| 分子式 | C11H8ClN3O2 |
| IUPAC 名称 | 2-[(2-chloropyrimidin-4-yl)amino]benzoic acid |
| UNII（FDA） | HMS2775A18 |
| Molecular Weight | 249.65 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 249.0305042 |
| Monoisotopic Mass | 249.0305042 |
| Topological Polar Surface Area | 75.1 |
| Heavy Atom Count | 17 |
31185-80-5; 2-[(2-chloropyrimidin-4-yl)amino]benzoic acid; 2-Chloro-4-(o-carboxyphenylamino)pyrimidine; 2-((2-Chloropyrimidin-4-yl)amino)benzoic acid; MLS000714053; SMR000273533; 2-[(2-chloropyrimidin-4-yl)amino]benzoicacid; HMS2775A18; MFCD01555479; Benzoic acid, 2-[(2-chloro-4-pyrimidinyl)amino]-; CHEMBL1605993; SCHEMBL11269404; SCHEMBL32679533; BDBM69309; cid_1933457; DTXSID50365671
2-氯-4-(邻-羧基苯基)嘧啶 · CAS 31185-80-5 · C11H8ClN3O2. UNII HMS2775A18.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-氯-4-(邻-羧基苯基)嘧啶