Cas no 1270120-06-3 (2-Iodo-4,5-dimethylbenzonitrile)
1270120-06-3 structure
Product Name:2-Iodo-4,5-dimethylbenzonitrile
CAS No:1270120-06-3
MF:C9H8IN
MW:257.070994377136
CID:2105317
Update Time:2023-08-03
2-Iodo-4,5-dimethylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-iodo-4,5-dimethylBenzonitrile
- FDJYANABENVBIC-UHFFFAOYSA-N
- 2-Iodo-4,5-dimethylbenzonitrile
-
- Inchi： 1S/C9H8IN/c1-6-3-8(5-11)9(10)4-7(6)2/h3-4H,1-2H3
- InChI Key： FDJYANABENVBIC-UHFFFAOYSA-N
- SMILES： IC1C(C#N)=CC(C)=C(C)C=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 181
- Topological Polar Surface Area: 23.8
2-Iodo-4,5-dimethylbenzonitrile Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
1270120-06-3 (2-Iodo-4,5-dimethylbenzonitrile) Related Products
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