3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid (CAS 400869-55-8) — formula C13H16ClN3O2, molecular weight 281.74; category organic chemicals.
| CAS Number | 400869-55-8 |
|---|---|
| Molecular Formula | C13H16ClN3O2 |
| Molecular Weight | 281.74 |
| LogP | 2.3 |
| Category | Organic Chemicals |
3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid is a carbon-based organic compound with CAS registry number 400869-55-8 and molecular formula C13H16ClN3O2 (molecular weight 281.74), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 400869-55-8
Its molecular formula C13H16ClN3O2 comprises 13 C, 16 H, 1 Cl, 3 N, 2 O atoms.
Also known as: 3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid · 3-(3-氯-1H-1,2,4-三唑-1-基)金刚烷-1-羧酸
Category: organic chemicals
The CAS registry number of 3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid is 400869-55-8.
Molecular formula C13H16ClN3O2, molecular weight 281.74.
It is also registered under: 3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid, 3-(3-氯-1H-1,2,4-三唑-1-基)金刚烷-1-羧酸.
Category: Organic Chemicals.
Independent reference data for 3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid (CAS 400869-55-8), compiled from public chemistry databases.
| CAS 号 | 400869-55-8 |
|---|---|
| PubChem CID | 601625 |
| 分子式 | C13H16ClN3O2 |
| IUPAC 名称 | 3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid |
| UNII（FDA） | HMS1539P06 |
| Molecular Weight | 281.74 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 281.0931045 |
| Monoisotopic Mass | 281.0931045 |
| Topological Polar Surface Area | 68 |
| Heavy Atom Count | 19 |
3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid; 400869-55-8; 3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid; 3-(3-chloro-1,2,4-triazolyl)adamantanecarboxylic acid; MFCD02055884; MLS000043401; SEWAAGVSSSBDQV-UHFFFAOYSA-N; TimTec1_002096; Oprea1_054169; CHEMBL1465997; HMS1539P06; HMS2161H11; HMS3314F07; ARA86955; SBB001144; STK348658
3-(3-氯-1H-1,2,4-三唑-1-基)金刚烷-1-羧酸 · CAS 400869-55-8 · C13H16ClN3O2. UNII HMS1539P06.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.