Cas no 1643564-88-8 (4-Bromo-2-(iso-butyl)pyridine-d12)
1643564-88-8 structure
Product Name:4-Bromo-2-(iso-butyl)pyridine-d12
CAS No:1643564-88-8
MF:C9H12BrN
MW:226.176221847534
CID:6810721
PubChem ID:133550786
Update Time:2025-03-06
4-Bromo-2-(iso-butyl)pyridine-d12 Chemical and Physical Properties
Names and Identifiers
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- 4-Bromo-2-(iso-butyl)pyridine-d12
- 1643564-88-8
- CS-19895
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- Inchi: 1S/C9H12BrN/c1-7(2)5-9-6-8(10)3-4-11-9/h3-4,6-7H,5H2,1-2H3/i1D3,2D3,3D,4D,5D2,6D,7D
- InChI Key: QQAZBFHJPUPWHM-UQYCSXOPSA-N
- SMILES: BrC1C([2H])=C([2H])N=C(C=1[2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 225.09063Da
- Monoisotopic Mass: 225.09063Da
- Isotope Atom Count: 12
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 114
- 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
- XLogP3: 3.2
- Topological Polar Surface Area: 12.9?2
4-Bromo-2-(iso-butyl)pyridine-d12 Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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