(3Z)-3-[(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene]-5-fluoro-1,3-dihydro-2H-indol-2-one（CAS号：356068-93-4）

5-((Z)-(5-氟-2-氧代吲哚烷-3-亚基)甲基)-2,4-二甲基-1H-吡咯-3-羧酸

基本信息

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CAS号

356068-93-4

分子式

C16H13FN2O3

分子量

300.29 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

精细化工产品专用化学品紫外线稳定剂

农用化学品农药除草剂

基本物理性质

沸点

588.4°C at 760 mmHg

密度

1.454

闪点

309.683 ºC

折射率

1.69

SMILES

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CC1=C(NC(=C1C(=O)O)C)C=C2C3=C(C=CC(=C3)F)NC2=O

InChI

InChI=1S/C16H13FN2O3/c1-7-13(18-8(2)14(7)16(21)22)6-11-10-5-9(17)3-4-12(10)19-15(11)20/h3-6,18H,1-2H3,(H,19,20)(H,21,22)/b11-6-

InChIKey

RBHBOUYXUXWCNJ-WDZFZDKYSA-N

LogP

2.961540000000001

拓扑极性表面积

82.19 Å²

氢键供体/受体

3 / 5

复杂度

522

安全信息

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危险说明

H302 吞咽有害
急性毒性-经口

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H332 吸入有害
急性毒性-吸入

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
356068-93-4
1H-Pyrrole-3-carboxylic acid, 5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-
BCP14185
5-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
C16H13FN2O3
UNII-3TA57TDQ6K
5-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CHEMBL1778707
AC-8504
BDBM50344216
(Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-((Z)-(5-fluoro-2-oxoindolin-3-ylidene)methyl)-2 pound not4-dimethyl-1H-pyrrole-3-carboxylicacid
452105-33-8
5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CS-M1922
Q-101344
5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2, 4-dimethyl-1H-pyrrole-3-carboxylic acid
5-(5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
A6218
(3Z)-3-(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-ylmethylidene)-5-fluoro-1,3-dihydro-2H-indol-2-one
3TA57TDQ6K
DS-4993
5-[(Z)-(5-Fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid; (3Z)-3-[(3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene]-5-fluoro-1,3-dihydro-2H-indol-2-one; 5-(5-Fluoro-2-oxo-1,2-dihydroindol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-(5-fluoro-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
(3Z)-3-((3,5-Dimethyl-4-carboxy-1H-pyrrol-2-yl)methylidene)-5-fluoro-1,3-dihydro-2H-indol-2-one
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid
1H-Pyrrole-3-carboxylic acid, 5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-
5-((Z)-(5-Fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-((Z)-(5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylicacid
AKOS015888620