Cas no 62530-13-6 (Benzene, 1-chloro-4-(2,4-dichlorophenoxy)-2-methoxy-3,5-dinitro-)
62530-13-6 structure
Product Name:Benzene, 1-chloro-4-(2,4-dichlorophenoxy)-2-methoxy-3,5-dinitro-
CAS No:62530-13-6
MF:C13H7Cl3N2O6
MW:393.563480615616
CID:441415
PubChem ID:71385482
Update Time:2025-04-19
Benzene, 1-chloro-4-(2,4-dichlorophenoxy)-2-methoxy-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-4-(2,4-dichlorophenoxy)-2-methoxy-3,5-dinitro-
- 1-chloro-4-(2,4-dichlorophenoxy)-2-methoxy-3,5-dinitrobenzene
- DTXSID80807711
- 62530-13-6
-
- Inchi： 1S/C13H7Cl3N2O6/c1-23-12-8(16)5-9(17(19)20)13(11(12)18(21)22)24-10-3-2-6(14)4-7(10)15/h2-5H,1H3
- InChI Key： MFYHLXJDDWEZFM-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=C(C=1OC)[N+](=O)[O-])OC1C=CC(=CC=1Cl)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 391.93711
- Monoisotopic Mass: 391.936969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 474
- 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: 5
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 104.74
Benzene, 1-chloro-4-(2,4-dichlorophenoxy)-2-methoxy-3,5-dinitro- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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