Cas no 62040-74-8 (1H-Indole-2-carboxylic acid, 5-bromo-1,3-dimethyl-, ethyl ester)
62040-74-8 structure
Product Name:1H-Indole-2-carboxylic acid, 5-bromo-1,3-dimethyl-, ethyl ester
CAS No:62040-74-8
MF:C13H14BrNO2
MW:296.159762859344
CID:459888
PubChem ID:12294623
Update Time:2025-04-19
1H-Indole-2-carboxylic acid, 5-bromo-1,3-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Indole-2-carboxylic acid, 5-bromo-1,3-dimethyl-, ethyl ester
- ethyl 5-bromo-1,3-dimethylindole-2-carboxylate
- ethyl 5-bromo-1,3-dimethyl-1H-indole-2-carboxylate
- DTXSID50485343
- 62040-74-8
-
- Inchi： 1S/C13H14BrNO2/c1-4-17-13(16)12-8(2)10-7-9(14)5-6-11(10)15(12)3/h5-7H,4H2,1-3H3
- InChI Key： HXJIWHOKORNMGJ-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)C(C)=C(C(=O)OCC)N2C
Computed Properties
- Exact Mass: 295.02082
- Monoisotopic Mass: 295.02079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 297
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 31.2?2
Experimental Properties
- PSA: 31.23
1H-Indole-2-carboxylic acid, 5-bromo-1,3-dimethyl-, ethyl ester Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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