Cas no 1211525-96-0 (3-(chloromethyl)-6-methyl-2-(trifluoromethyl)pyridine)
1211525-96-0 structure
Product Name:3-(chloromethyl)-6-methyl-2-(trifluoromethyl)pyridine
CAS No:1211525-96-0
MF:C8H7ClF3N
MW:209.596091508865
CID:3161045
PubChem ID:92042989
Update Time:2025-04-21
3-(chloromethyl)-6-methyl-2-(trifluoromethyl)pyridine Chemical and Physical Properties
Names and Identifiers
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- 3-(chloromethyl)-6-methyl-2-(trifluoromethyl)pyridine
- 1211525-96-0
-
- Inchi： 1S/C8H7ClF3N/c1-5-2-3-6(4-9)7(13-5)8(10,11)12/h2-3H,4H2,1H3
- InChI Key： MDMROWSYNSJJQJ-UHFFFAOYSA-N
- SMILES： C1(C(F)(F)F)=NC(C)=CC=C1CCl
Computed Properties
- Exact Mass: 209.0219114Da
- Monoisotopic Mass: 209.0219114Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 171
- 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: 2.6
- Topological Polar Surface Area: 12.9?2
3-(chloromethyl)-6-methyl-2-(trifluoromethyl)pyridine Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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