Cas no 62530-11-4 (Benzene, 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitro-)
62530-11-4 structure
Product Name:Benzene, 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitro-
CAS No:62530-11-4
MF:C13H8Cl2N2O6
MW:359.118421554565
CID:441417
PubChem ID:71385484
Update Time:2025-04-19
Benzene, 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitro-
- 1-chloro-4-(2-chlorophenoxy)-2-methoxy-3,5-dinitrobenzene
- DTXSID00807713
- 62530-11-4
-
- Inchi: 1S/C13H8Cl2N2O6/c1-22-12-8(15)6-9(16(18)19)13(11(12)17(20)21)23-10-5-3-2-4-7(10)14/h2-6H,1H3
- InChI Key: LMRKGCDNWSQJFH-UHFFFAOYSA-N
- SMILES: ClC1C=C(C(=C(C=1OC)[N+](=O)[O-])OC1C=CC=CC=1Cl)[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: 443
- 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-(2-chlorophenoxy)-2-methoxy-3,5-dinitro- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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