Cas no 863868-39-7 (Benzonitrile,4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-)
863868-39-7 structure
Product Name:Benzonitrile,4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No:863868-39-7
MF:C13H14BCl2NO2
MW:297.972761631012
CID:1849369
PubChem ID:57633872
Update Time:2025-04-21
Benzonitrile,4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- 4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- DTXSID801148796
- SCHEMBL13868338
- 863868-39-7
-
- Inchi： 1S/C13H14BCl2NO2/c1-12(2)13(3,4)19-14(18-12)9-6-11(16)10(15)5-8(9)7-17/h5-6H,1-4H3
- InChI Key： USJOSEVEPCTAMO-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(C#N)=C(B2OC(C)(C)C(C)(C)O2)C=1)Cl
Computed Properties
- Exact Mass: 297.0494642g/mol
- Monoisotopic Mass: 297.0494642g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 391
- 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: 42.2?2
Benzonitrile,4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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