Cas no 2241866-97-5 ((3-(methyl-d3)phenyl-2,4,5,6-d4)boronic acid)
2241866-97-5 structure
Product Name:(3-(methyl-d3)phenyl-2,4,5,6-d4)boronic acid
CAS No:2241866-97-5
MF:C7H9BO2
MW:142.999294042587
CID:6815883
PubChem ID:45788890
Update Time:2025-03-03
(3-(methyl-d3)phenyl-2,4,5,6-d4)boronic acid Chemical and Physical Properties
Names and Identifiers
-
- 2241866-97-5
- (3-(methyl-d3)phenyl-2,4,5,6-d4)boronic acid
- CS-19087
- 3-(Tolyl-d7)-boronic acid
- F92682
- AKOS015943977
-
- Inchi： 1S/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3/i1D3,2D,3D,4D,5D
- InChI Key： BJQCPCFFYBKRLM-AAYPNNLASA-N
- SMILES： OB(C1=C([2H])C([2H])=C([2H])C(C([2H])([2H])[2H])=C1[2H])O
Computed Properties
- Exact Mass: 143.1134969Da
- Monoisotopic Mass: 143.1134969Da
- Isotope Atom Count: 7
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 106
- 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
(3-(methyl-d3)phenyl-2,4,5,6-d4)boronic acid Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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