Cas no 62827-44-5 (Benzonitrile, 2-bromo-4,6-dinitro-)
62827-44-5 structure
Product Name:Benzonitrile, 2-bromo-4,6-dinitro-
CAS No:62827-44-5
MF:C7H2BrN3O4
MW:272.012480258942
CID:430343
PubChem ID:14745053
Update Time:2025-04-19
Benzonitrile, 2-bromo-4,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-bromo-4,6-dinitro-
- 2-bromo-4,6-dinitrobenzonitrile
- DTXSID30563552
- 62827-44-5
-
- Inchi： 1S/C7H2BrN3O4/c8-6-1-4(10(12)13)2-7(11(14)15)5(6)3-9/h1-2H
- InChI Key： GYLDDTVGMZDDCW-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1C#N)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 270.92286
- Monoisotopic Mass: 270.92287g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 327
- 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
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 110.07
Benzonitrile, 2-bromo-4,6-dinitro- Related Literature
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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