Cas no 702640-49-1 (2-Chloro-4-bromo-5-methyl-6-fluoroaniline)
702640-49-1 structure
Product Name:2-Chloro-4-bromo-5-methyl-6-fluoroaniline
CAS No:702640-49-1
MF:C7H6BrClFN
MW:238.48464345932
CID:2197129
Update Time:2023-08-07
2-Chloro-4-bromo-5-methyl-6-fluoroaniline Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-4-bromo-5-methyl-6-fluoroaniline
- HCBNARWFSZBVBR-UHFFFAOYSA-N
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- Inchi： 1S/C7H6BrClFN/c1-3-4(8)2-5(9)7(11)6(3)10/h2H,11H2,1H3
- InChI Key： HCBNARWFSZBVBR-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C(=C1C)F)N)Cl
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 146
- XLogP3: 3
- Topological Polar Surface Area: 26
2-Chloro-4-bromo-5-methyl-6-fluoroaniline Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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