Cas no 65151-21-5 (Benzene, 1,2,5-trichloro-4-methyl-3-nitro-)
65151-21-5 structure
Product Name:Benzene, 1,2,5-trichloro-4-methyl-3-nitro-
CAS No:65151-21-5
MF:C7H4Cl3NO2
MW:240.471158981323
CID:1684293
PubChem ID:71376791
Update Time:2025-04-21
Benzene, 1,2,5-trichloro-4-methyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2,5-trichloro-4-methyl-3-nitro-
- 1,2,5-trichloro-4-methyl-3-nitrobenzene
- DTXSID00799462
- SCHEMBL14211584
- 65151-21-5
-
- Inchi： 1S/C7H4Cl3NO2/c1-3-4(8)2-5(9)6(10)7(3)11(12)13/h2H,1H3
- InChI Key： MVLXSKXYTRPVGW-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C(=C1C)[N+](=O)[O-])Cl)Cl
Computed Properties
- Exact Mass: 238.93092
- Monoisotopic Mass: 238.930761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 208
- 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
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Benzene, 1,2,5-trichloro-4-methyl-3-nitro- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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