Cas no 2368221-79-6 (2-fluoro-3-(methyl-d3)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4,6-d2)
2368221-79-6 structure
Product Name:2-fluoro-3-(methyl-d3)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4,6-d2
CAS No:2368221-79-6
MF:C12H17BFNO2
MW:242.109095335007
CID:6823372
PubChem ID:172400177
Update Time:2025-03-01
2-fluoro-3-(methyl-d3)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4,6-d2 Chemical and Physical Properties
Names and Identifiers
-
- CS-20253
- 2-fluoro-3-(methyl-d3)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4,6-d2
- 2368221-79-6
-
- Inchi： 1S/C12H17BFNO2/c1-8-6-9(7-15-10(8)14)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3/i1D3,6D,7D
- InChI Key： OEMBRPGPDHAQHU-XUYCAUAGSA-N
- SMILES： FC1=C(C([2H])([2H])[2H])C([2H])=C(B2OC(C)(C)C(C)(C)O2)C([2H])=N1
Computed Properties
- Exact Mass: 242.1650208Da
- Monoisotopic Mass: 242.1650208Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 282
- 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: 31.4?2
2-fluoro-3-(methyl-d3)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4,6-d2 Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
2368221-79-6 (2-fluoro-3-(methyl-d3)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4,6-d2) Related Products
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