Cas no 958451-75-7 ( )
structure
Product Name:
CAS No:958451-75-7
MF:C8H9BF2O3
MW:201.963069677353
CID:1001682
PubChem ID:43145344
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- [2-(difluoromethoxy)-5-methylphenyl]boronic acid
- 2-difluoromethoxy-5-methyl-benzeneboronic acid
- 958451-75-7
- DTXSID70655561
-
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- Inchi： 1S/C8H9BF2O3/c1-5-2-3-7(14-8(10)11)6(4-5)9(12)13/h2-4,8,12-13H,1H3
- InChI Key： BTZKEKXMBGFJMH-UHFFFAOYSA-N
- SMILES： FC(OC1C=CC(C)=CC=1B(O)O)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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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