Cas no 91062-61-2 (1H-Indole-2-carboxylic acid, 5-bromo-3-chloro-, ethyl ester)
91062-61-2 structure
Product Name:1H-Indole-2-carboxylic acid, 5-bromo-3-chloro-, ethyl ester
CAS No:91062-61-2
MF:C11H9BrClNO2
MW:302.551661252975
CID:1967492
PubChem ID:28330549
Update Time:2025-04-21
1H-Indole-2-carboxylic acid, 5-bromo-3-chloro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylic acid, 5-bromo-3-chloro-, ethyl ester
- SCHEMBL3013033
- Z432409570
- ethyl 5-bromo-3-chloro-1H-indole-2-carboxylate
- AKOS005135841
- AB00997234-01
- 91062-61-2
- DB-123885
- 5-Bromo-3-chloroindole-2-carboxylic acid ethyl ester
- CS-0530963
- 5-bromo-3-chloro-1H-indole-2-carboxylic acid ethyl ester
- CMGCJTFXYGLJBM-UHFFFAOYSA-N
-
- Inchi： 1S/C11H9BrClNO2/c1-2-16-11(15)10-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,14H,2H2,1H3
- InChI Key： CMGCJTFXYGLJBM-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1)C(=C(C(=O)OCC)N2)Cl
Computed Properties
- Exact Mass: 300.951
- Monoisotopic Mass: 300.951
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 277
- 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
- Topological Polar Surface Area: 42.1A^2
- XLogP3: 3.9
1H-Indole-2-carboxylic acid, 5-bromo-3-chloro-, ethyl ester Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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