Cas no 958451-79-1 ( )
structure
Product Name:
CAS No:958451-79-1
MF:C8H6BF5O3
MW:255.934460163116
CID:1001686
PubChem ID:45158724
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- [4-(difluoromethoxy)-3-(trifluoromethyl)phenyl]boronic acid
- 4-difluoromethoxy-3-trifluoromethyl-benzeneboronic acid
- 958451-79-1
- DTXSID10669682
- (4-(Difluoromethoxy)-3-(trifluoromethyl)phenyl)boronic acid
- starbld0019155
-
-
- Inchi： 1S/C8H6BF5O3/c10-7(11)17-6-2-1-4(9(15)16)3-5(6)8(12,13)14/h1-3,7,15-16H
- InChI Key： NPFRNEQAEFRASI-UHFFFAOYSA-N
- SMILES： FC(C1C=C(B(O)O)C=CC=1OC(F)F)(F)F
Computed Properties
- Exact Mass: 256.03300
- Monoisotopic Mass: 256.0330150g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 248
- 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
Experimental Properties
- PSA: 49.69000
- LogP: 0.98660
Related Literature
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
958451-79-1 ( ) Related Products
- 149507-36-8((4-methoxy-3-trifluoromethylphenyl)boronic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
