Cas no 1027088-32-9 (4-Methyl(phenyl-d4)-boronic acid)
1027088-32-9 structure
Product Name:4-Methyl(phenyl-d4)-boronic acid
CAS No:1027088-32-9
MF:C7H9BO2
MW:139.980808973312
CID:6790146
PubChem ID:45788874
Update Time:2024-06-24
4-Methyl(phenyl-d4)-boronic acid Chemical and Physical Properties
Names and Identifiers
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- AKOS015943372
- 1027088-32-9
- F92671
- 4-Methyl(phenyl-d4)-boronic acid
-
- Inchi： 1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3/i2D,3D,4D,5D
- InChI Key： BIWQNIMLAISTBV-QFFDRWTDSA-N
- SMILES： OB(C1C([2H])=C([2H])C(C)=C([2H])C=1[2H])O
Computed Properties
- Exact Mass: 140.0946667g/mol
- Monoisotopic Mass: 140.0946667g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 97.8
- 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: 40.5?2
4-Methyl(phenyl-d4)-boronic acid Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
1027088-32-9 (4-Methyl(phenyl-d4)-boronic acid) Related Products
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