Cas no 62530-09-0 (Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-(4-nitrophenoxy)-)
62530-09-0 structure
Product Name:Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-(4-nitrophenoxy)-
CAS No:62530-09-0
MF:C13H8ClN3O8
MW:369.670922279358
CID:441419
PubChem ID:71385486
Update Time:2025-04-19
Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-(4-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-(4-nitrophenoxy)-
- 1-chloro-2-methoxy-3,5-dinitro-4-(4-nitrophenoxy)benzene
- DTXSID20807715
- 62530-09-0
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- Inchi： 1S/C13H8ClN3O8/c1-24-12-9(14)6-10(16(20)21)13(11(12)17(22)23)25-8-4-2-7(3-5-8)15(18)19/h2-6H,1H3
- InChI Key： HCORVPRVZATSCO-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=C(C=1OC)[N+](=O)[O-])OC1C=CC(=CC=1)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 369.00004
- Monoisotopic Mass: 368.9999919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 511
- 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: 3.1
- Topological Polar Surface Area: 156?2
Experimental Properties
- PSA: 147.88
Benzene, 1-chloro-2-methoxy-3,5-dinitro-4-(4-nitrophenoxy)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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