Cas no 289503-26-0 (Boronic acid, [6-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-)
![Boronic acid, [6-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]- structure](https://ossimg.kuujia.com/scimg/290000/289503-26-0x500.png)
289503-26-0 structure
Product Name:Boronic acid, [6-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-
CAS No:289503-26-0
MF:C15H13BBrNO4S
MW:394.048022031784
CID:1437019
PubChem ID:11326862
Update Time:2025-04-20
Boronic acid, [6-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]- Chemical and Physical Properties
Names and Identifiers
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- Boronic acid, [6-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]-
- [6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]boronic acid
- (6-Bromo-1-tosyl-1H-indol-3-yl)boronic acid
- DTXSID70462499
- [6-bromo-1-(4-methylbenzenesulfonyl)-1H-indol-3-yl]boronic acid
- 289503-26-0
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- Inchi： 1S/C15H13BBrNO4S/c1-10-2-5-12(6-3-10)23(21,22)18-9-14(16(19)20)13-7-4-11(17)8-15(13)18/h2-9,19-20H,1H3
- InChI Key： CAVKNPOIZLDLLJ-UHFFFAOYSA-N
- SMILES： BrC1C=CC2C(B(O)O)=CN(C=2C=1)S(C1C=CC(C)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 391.98779
- Monoisotopic Mass: 392.98417g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 518
- 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: 87.9?2
Experimental Properties
- PSA: 79.53
Boronic acid, [6-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl]- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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