Cas no 89677-78-1 (Benzene,2-iodo-5-methoxy-1,3-dinitro-)
89677-78-1 structure
Product Name:Benzene,2-iodo-5-methoxy-1,3-dinitro-
CAS No:89677-78-1
MF:C7H5IN2O5
MW:324.029474020004
CID:706885
PubChem ID:53414645
Update Time:2025-04-19
Benzene,2-iodo-5-methoxy-1,3-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2-iodo-5-methoxy-1,3-dinitro-
- 2-Iodo-5-methoxy-1,3-dinitrobenzene
- 89677-78-1
- DTXSID60696847
- 2-iodo-5-methoxy-1,3-dinitro-benzene
- A843279
-
- Inchi： 1S/C7H5IN2O5/c1-15-4-2-5(9(11)12)7(8)6(3-4)10(13)14/h2-3H,1H3
- InChI Key： PKBGJAOYYBZPBH-UHFFFAOYSA-N
- SMILES： IC1C(=CC(=CC=1[N+](=O)[O-])OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 323.924
- Monoisotopic Mass: 323.924
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 239
- 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: 2.2
- Topological Polar Surface Area: 101?2
Benzene,2-iodo-5-methoxy-1,3-dinitro- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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