Cas no 1426805-54-0 (Benzonitrile, 2-bromo-3-chloro-5-nitro-)
1426805-54-0 structure
Product Name:Benzonitrile, 2-bromo-3-chloro-5-nitro-
CAS No:1426805-54-0
MF:C7H2BrClN2O2
MW:261.459979534149
CID:2134088
Update Time:2023-08-04
Benzonitrile, 2-bromo-3-chloro-5-nitro- Chemical and Physical Properties
Names and Identifiers
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- 2-bromo-3-chloro-5-nitroBenzonitrile
- Benzonitrile, 2-bromo-3-chloro-5-nitro-
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- Inchi： 1S/C7H2BrClN2O2/c8-7-4(3-10)1-5(11(12)13)2-6(7)9/h1-2H
- InChI Key： YGJUPIJXEUASTN-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(=CC=1C#N)[N+](=O)[O-])Cl
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 259
- Topological Polar Surface Area: 69.6
Benzonitrile, 2-bromo-3-chloro-5-nitro- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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