Cas no 1263280-47-2 (3-Bromo-6-chloro-5-fluoro-1H-Indole-2-carboxylic acid methyl ester)
1263280-47-2 structure
Product Name:3-Bromo-6-chloro-5-fluoro-1H-Indole-2-carboxylic acid methyl ester
CAS No:1263280-47-2
MF:C10H6BrClFNO2
MW:306.51554441452
CID:2129836
Update Time:2023-08-04
3-Bromo-6-chloro-5-fluoro-1H-Indole-2-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
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- 3-bromo-6-chloro-5-fluoro-1H-Indole-2-carboxylic acid methyl ester
- 3-Bromo-6-chloro-5-fluoro-1H-Indole-2-carboxylic acid methyl ester
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- Inchi： 1S/C10H6BrClFNO2/c1-16-10(15)9-8(11)4-2-6(13)5(12)3-7(4)14-9/h2-3,14H,1H3
- InChI Key： YOVBBSKPICXQSU-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=O)OC)NC2C=C(C(=CC=21)F)Cl
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 294
- Topological Polar Surface Area: 42.1
3-Bromo-6-chloro-5-fluoro-1H-Indole-2-carboxylic acid methyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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