Cas no 95568-79-9 (3H-Benz[e]indole-2-carboxylic acid, 5-chloro-, ethyl ester)
![3H-Benz[e]indole-2-carboxylic acid, 5-chloro-, ethyl ester structure](https://ossimg.kuujia.com/scimg/96000/95568-79-9x500.png)
95568-79-9 structure
Product Name:3H-Benz[e]indole-2-carboxylic acid, 5-chloro-, ethyl ester
CAS No:95568-79-9
MF:C15H12ClNO2
MW:273.714282989502
CID:751768
PubChem ID:13462993
Update Time:2025-04-19
3H-Benz[e]indole-2-carboxylic acid, 5-chloro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3H-Benz[e]indole-2-carboxylic acid, 5-chloro-, ethyl ester
- ethyl 5-chloro-3H-benzo[e]indole-2-carboxylate
- 95568-79-9
- DTXSID60541444
-
- Inchi： 1S/C15H12ClNO2/c1-2-19-15(18)14-7-11-9-5-3-4-6-10(9)12(16)8-13(11)17-14/h3-8,17H,2H2,1H3
- InChI Key： XQDSMMXYCFRVEY-UHFFFAOYSA-N
- SMILES： ClC1=CC2=C(C=C(C(=O)OCC)N2)C2C=CC=CC=21
Computed Properties
- Exact Mass: 273.0556563g/mol
- Monoisotopic Mass: 273.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 349
- 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: 4.5
- Topological Polar Surface Area: 42.1?2
3H-Benz[e]indole-2-carboxylic acid, 5-chloro-, ethyl ester Related Literature
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2. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
95568-79-9 (3H-Benz[e]indole-2-carboxylic acid, 5-chloro-, ethyl ester) Related Products
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