Cas no 62530-12-5 (Benzene, 1-chloro-4-(4-chlorophenoxy)-2-methoxy-3,5-dinitro-)
62530-12-5 structure
Product Name:Benzene, 1-chloro-4-(4-chlorophenoxy)-2-methoxy-3,5-dinitro-
CAS No:62530-12-5
MF:C13H8Cl2N2O6
MW:359.118421554565
CID:441416
PubChem ID:71385483
Update Time:2025-04-19
Benzene, 1-chloro-4-(4-chlorophenoxy)-2-methoxy-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-4-(4-chlorophenoxy)-2-methoxy-3,5-dinitro-
- 1-chloro-4-(4-chlorophenoxy)-2-methoxy-3,5-dinitrobenzene
- 62530-12-5
- DTXSID40807712
-
- Inchi： 1S/C13H8Cl2N2O6/c1-22-12-9(15)6-10(16(18)19)13(11(12)17(20)21)23-8-4-2-7(14)3-5-8/h2-6H,1H3
- InChI Key： TVXUHZMPKXGTSX-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=C(C=1OC)[N+](=O)[O-])OC1C=CC(=CC=1)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 357.97604
- Monoisotopic Mass: 357.9759414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 435
- 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: 4.3
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 104.74
Benzene, 1-chloro-4-(4-chlorophenoxy)-2-methoxy-3,5-dinitro- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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