Cas no 849062-35-7 (Boronic acid,B-(2-bromo-3,4,5,6-tetrafluorophenyl)-)
849062-35-7 structure
Product Name:Boronic acid,B-(2-bromo-3,4,5,6-tetrafluorophenyl)-
CAS No:849062-35-7
MF:C6H2BBrF4O2
MW:272.787495136261
CID:716704
Update Time:2024-01-31
Boronic acid,B-(2-bromo-3,4,5,6-tetrafluorophenyl)- Chemical and Physical Properties
Names and Identifiers
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- Boronic acid,B-(2-bromo-3,4,5,6-tetrafluorophenyl)-
- (2-bromo-3,4,5,6-tetrafluorophenyl)boronic acid
- 2-Bromo-3,4,5,6-tetrafluorophenylboronic acid
- 2-Bromo-3,4,5,6-tetrafluorophenylboronic acid
- Boronic acid, B-(2-bromo-3,4,5,6-tetrafluorophenyl)-
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- Inchi： 1S/C6H2BBrF4O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h13-14H
- InChI Key： SNFARXZQGCXAEZ-UHFFFAOYSA-N
- SMILES： B(C1=C(F)C(F)=C(F)C(F)=C1Br)(O)O
Computed Properties
- Exact Mass: 271.927
- Monoisotopic Mass: 271.927
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 210
- 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: 40.5A^2
Experimental Properties
- Melting Point: 125-130?°C(lit.)
- PSA: 40.46000
- LogP: 0.68530
Boronic acid,B-(2-bromo-3,4,5,6-tetrafluorophenyl)- Security Information
- Safety Instruction： 22-24/25
Boronic acid,B-(2-bromo-3,4,5,6-tetrafluorophenyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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