Cas no 958451-78-0 ( )
structure
Product Name:
CAS No:958451-78-0
MF:C8H9BF2O3
MW:201.963069677353
CID:1001685
PubChem ID:45158723
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- [2-(difluoromethoxy)-3-methylphenyl]boronic acid
- 2-difluoromethoxy-3-methyl-benzeneboronic acid
- 958451-78-0
- DTXSID50669681
-
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- Inchi： 1S/C8H9BF2O3/c1-5-3-2-4-6(9(12)13)7(5)14-8(10)11/h2-4,8,12-13H,1H3
- InChI Key： HCNMYMKJTFLPOQ-UHFFFAOYSA-N
- SMILES： FC(OC1C(B(O)O)=CC=CC=1C)F
Computed Properties
- Exact Mass: 202.06100
- Monoisotopic Mass: 202.0612806g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 180
- 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: 0.27620
Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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