Cas no 89047-58-5 (Benzene, 1,2,3-trichloro-5-(2,4-dichlorophenoxy)-4-nitro-)
89047-58-5 structure
Product Name:Benzene, 1,2,3-trichloro-5-(2,4-dichlorophenoxy)-4-nitro-
CAS No:89047-58-5
MF:C12H4Cl5NO3
MW:387.430058479309
CID:614494
PubChem ID:71321767
Update Time:2025-04-19
Benzene, 1,2,3-trichloro-5-(2,4-dichlorophenoxy)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2,3-trichloro-5-(2,4-dichlorophenoxy)-4-nitro-
- 1,2,3-trichloro-5-(2,4-dichlorophenoxy)-4-nitrobenzene
- DTXSID90751539
- 89047-58-5
-
- Inchi： 1S/C12H4Cl5NO3/c13-5-1-2-8(6(14)3-5)21-9-4-7(15)10(16)11(17)12(9)18(19)20/h1-4H
- InChI Key： YBQXZKGMGCVLQX-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC(=C1[N+](=O)[O-])OC1C=CC(=CC=1Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 386.860431g/mol
- Monoisotopic Mass: 384.863381g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 382
- 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: 6.4
- Topological Polar Surface Area: 55?2
Benzene, 1,2,3-trichloro-5-(2,4-dichlorophenoxy)-4-nitro- Related Literature
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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