HCID13431

3-Fluoroadamantane-1-carboxylic acid

C11H15FO2198.23 g/molCAS 880-50-2

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IDENTITY

结构与身份

标准 SMILES: O=C(O)C12CC3CC(CC(F)(C3)C1)C2
InChIKey: SJULXDNAWKQQEV-UHFFFAOYSA-N
分子式: C11H15FO2
平均分子量: 198.23 g/mol
单同位素质量: 198.10560788

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 286

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (97.4%)

ALIASES

名称与别名

共 22 条

3-fluoroadamantane-1-carboxylic acidRefChem:501929804-555-7880-50-21-Fluoro-3-adamantanecarboxylic acidNSC646340Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-fluoro-3-Fluoro-1-adamantanecarboxylic acidBRN 26934913-ADAMANTANECARBOXYLIC ACID, 1-FLUORO-SCHEMBL301054CHEMBL2005126DTXSID00902090SJULXDNAWKQQEV-UHFFFAOYSA-N3-fluoroadamantane-1-carboxylicacid3-fluoroadamantane-l-carboxylic acidAKOS026729605NSC-646340NCI60_016005CS-0231767

REACTIONS