Cas no 916486-11-8 (5-(ethoxycarbonyl)-1H-indol-2-ylboronic acid)
916486-11-8 structure
Product Name:5-(ethoxycarbonyl)-1H-indol-2-ylboronic acid
CAS No:916486-11-8
MF:C11H12BNO4
MW:233.028283119202
CID:2114730
PubChem ID:59800131
Update Time:2025-04-21
5-(ethoxycarbonyl)-1H-indol-2-ylboronic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(ethoxycarbonyl)-1H-indol-2-ylboronic acid
- 2-borono-5-ethoxycarbonylindole
- XYIJCCHUXSHRDJ-UHFFFAOYSA-N
- 916486-11-8
- SCHEMBL3359679
- DA-38399
-
- Inchi： 1S/C11H12BNO4/c1-2-17-11(14)7-3-4-9-8(5-7)6-10(13-9)12(15)16/h3-6,13,15-16H,2H2,1H3
- InChI Key： XYIJCCHUXSHRDJ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC2=C(C=1)C=C(B(O)O)N2)=O
Computed Properties
- Exact Mass: 233.0859380Da
- Monoisotopic Mass: 233.0859380Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 287
- 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: 82.6?2
5-(ethoxycarbonyl)-1H-indol-2-ylboronic acid Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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