HCID2758264

4-(2,4-difluorophenyl)benzoic Acid

C13H8F2O2234.2 g/molCAS 331760-41-9

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=C(O)c1ccc(-c2ccc(F)cc2F)cc1
InChIKey: DGHGRAZWNAQANC-UHFFFAOYSA-N
分子式: C13H8F2O2
平均分子量: 234.2 g/mol
单同位素质量: 234.04923582

COMPUTED

结构计算性质

等待补全

XLogP: 3.3
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 275

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 23 条

331760-41-94-(2,4-difluorophenyl)benzoic AcidDTXSID30374246RefChem:286899DTXCID703252772',4'-difluoro-[1,1'-biphenyl]-4-carboxylic acid2',4'-Difluoro-biphenyl-4-carboxylic acid2',4'-difluorobiphenyl-4-carboxylic acidMFCD041173862',4'-Difluoro-4-Biphenylcarboxylic Acid2',4'-difluoro[1,1'-biphenyl]-4-carboxylic acidSCHEMBL4117052',4'-Difluoro-[1,1'-biphenyl]-4-carboxylicacidCHEMBL122035DGHGRAZWNAQANC-UHFFFAOYSA-NSBB098227AKOS006123951AB92542PS-7668DB-262542

REACTIONS

相关反应

12 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

uspto-grants-2007_09 · 10.6084/m9.figshare.5104873.v1 · US07265246B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看

uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07838543B2

查看

uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07223788B2

查看

uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07223788B2

查看

uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07223788B2

查看