Cas no 623175-86-0 (Boronic acid, (7-ethyl-2,3-dihydro-3,3-dimethyl-5-benzofuranyl)- (9CI))
623175-86-0 structure
Product Name:Boronic acid, (7-ethyl-2,3-dihydro-3,3-dimethyl-5-benzofuranyl)- (9CI)
CAS No:623175-86-0
MF:C12H17BO3
MW:220.072583913803
CID:956489
PubChem ID:22731341
Update Time:2025-04-19
Boronic acid, (7-ethyl-2,3-dihydro-3,3-dimethyl-5-benzofuranyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Boronic acid, (7-ethyl-2,3-dihydro-3,3-dimethyl-5-benzofuranyl)- (9CI)
- 3,3-Dimethyl-7-ethyl-2,3-dihydro-benzofuran-5-boronic acid
- XGHBTNWZTDPHJW-UHFFFAOYSA-N
- (7-Ethyl-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl)boronic acid
- (7-Ethyl-3,3-dimethyl-2,3-dihydro-1-benzo[b]furan-5-yl)boronic acid
- (7-Ethyl-3,3-dimethyl-2,3-dihydrobenzofuran-5-yl)boronic acid
- 623175-86-0
- SCHEMBL6154326
-
- Inchi： 1S/C12H17BO3/c1-4-8-5-9(13(14)15)6-10-11(8)16-7-12(10,2)3/h5-6,14-15H,4,7H2,1-3H3
- InChI Key： XGHBTNWZTDPHJW-UHFFFAOYSA-N
- SMILES： O1C2C(CC)=CC(B(O)O)=CC=2C(C)(C)C1
Computed Properties
- Exact Mass: 220.1270746g/mol
- Monoisotopic Mass: 220.1270746g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 255
- 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: 49.7?2
Boronic acid, (7-ethyl-2,3-dihydro-3,3-dimethyl-5-benzofuranyl)- (9CI) Related Literature
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Izumi Yamamoto,Gildas P. Deniau,Navnath Gavande,Mary Chebib,Graham A. R. Johnston,David O'Hagan Chem. Commun., 2011,47, 7956-7958
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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