Cas no 919119-66-7 (1H-Indole-3-carboxylic acid,2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester)
919119-66-7 structure
Product Name:1H-Indole-3-carboxylic acid,2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS No:919119-66-7
MF:C18H24BNO4
MW:329.19846534729
CID:765532
PubChem ID:24960599
Update Time:2024-01-16
1H-Indole-3-carboxylic acid,2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboxylic acid,2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
- ETHYL 2-METHYL-7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-3-CARBOXYLATE
- DTXSID70648079
- 919119-66-7
-
- Inchi： 1S/C18H24BNO4/c1-7-22-16(21)14-11(2)20-15-12(14)9-8-10-13(15)19-23-17(3,4)18(5,6)24-19/h8-10,20H,7H2,1-6H3
- InChI Key： KRSFWFJCVUCAQS-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC=C3C(C(=O)OCC)=C(C)NC=23)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 329.1798384g/mol
- Monoisotopic Mass: 329.1798384g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 479
- 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: 60.6?2
1H-Indole-3-carboxylic acid,2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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