Cas no 1643577-36-9 (4-Bromo-[2-methyl-6-(iso-butyl)-d12]-pyridine)
![4-Bromo-[2-methyl-6-(iso-butyl)-d12]-pyridine structure](https://ossimg.kuujia.com/scimg/1644000/1643577-36-9x500.png)
1643577-36-9 structure
Product Name:4-Bromo-[2-methyl-6-(iso-butyl)-d12]-pyridine
CAS No:1643577-36-9
MF:C10H14BrN
MW:240.202802181244
CID:6810648
PubChem ID:133552163
Update Time:2025-03-06
4-Bromo-[2-methyl-6-(iso-butyl)-d12]-pyridine Chemical and Physical Properties
Names and Identifiers
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- 1643577-36-9
- CS-18497
- 4-Bromo-[2-methyl-6-(iso-butyl)-d12]-pyridine
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- Inchi： 1S/C10H14BrN/c1-7(2)4-10-6-9(11)5-8(3)12-10/h5-7H,4H2,1-3H3/i1D3,2D3,3D3,4D2,7D
- InChI Key： VFUAQRPYHGKIHW-DTHFMISZSA-N
- SMILES： BrC1C=C(C([2H])([2H])[2H])N=C(C=1)C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 239.10628Da
- Monoisotopic Mass: 239.10628Da
- Isotope Atom Count: 12
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 136
- 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: 3.6
- Topological Polar Surface Area: 12.9?2
4-Bromo-[2-methyl-6-(iso-butyl)-d12]-pyridine Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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