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结构：N#Cc1ccc(-c2ccc(O)c(I)c2)cc1
HCID10358676

4-(4-Hydroxy-3-iodophenyl)benzonitrile

C13H8INO321.11 g/molCAS 460746-47-8
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IDENTITY

结构与身份

标准 SMILES
N#Cc1ccc(-c2ccc(O)c(I)c2)cc1
InChIKey
GGJLASJZXUIMAG-UHFFFAOYSA-N
分子式
C13H8INO
平均分子量
321.11 g/mol
单同位素质量
320.96506

COMPUTED

结构计算性质

已同步
XLogP
3.6
极性表面积
44 Ų
氢键供体
1
氢键受体
2
可旋转键
1
重原子
16
形式电荷
0
复杂度
277

GHS

GHS 分类

来源：PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

ALIASES

名称与别名

共 28 条
4-(4-hydroxy-3-iodophenyl)benzonitrile4'-hydroxy-3'-iodo[1,1'-biphenyl]-4-carbonitrile4'-Hydroxy-3'-iodo(1,1'-biphenyl)-4-carbonitrileRefChem:514255696-505-4460746-47-84'-Hydroxy-3'-iodo-biphenyl-4-carbonitrile4'-Hydroxy-3'-iodo-[1,1'-biphenyl]-4-carbonitrileMFCD06796628C13H8INO4'-Hydroxy-3'-iodobiphenyl-4-carbonitrileGKG9HJB8MUSCHEMBL2785702DTXSID90438712GGJLASJZXUIMAG-UHFFFAOYSA-NAKOS015962778AC-9294SS-4452SY2388584'-Hydroxy-3'-iodo-4-biphenylcarbonitrile

REACTIONS

参与反应

10 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID1134367

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

作为生成物
HRID 1134367 方程式

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

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