Cas no 1312008-59-5 (4-Amino-2-ethyl-5-iodobenzonitrile)
1312008-59-5 structure
Product Name:4-Amino-2-ethyl-5-iodobenzonitrile
CAS No:1312008-59-5
MF:C9H9IN2
MW:272.085633993149
CID:2114199
Update Time:2023-08-04
4-Amino-2-ethyl-5-iodobenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-amino-2-ethyl-5-iodoBenzonitrile
- SIGBMSUQYNQPOQ-UHFFFAOYSA-N
- 4-Amino-2-ethyl-5-iodobenzonitrile
-
- Inchi： 1S/C9H9IN2/c1-2-6-4-9(12)8(10)3-7(6)5-11/h3-4H,2,12H2,1H3
- InChI Key： SIGBMSUQYNQPOQ-UHFFFAOYSA-N
- SMILES： IC1C=C(C#N)C(=CC=1N)CC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 196
- Topological Polar Surface Area: 49.8
4-Amino-2-ethyl-5-iodobenzonitrile Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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