Cas no 67627-20-7 (1,2,3,4-tetrachloro-5-methyl-6-nitrobenzene)
67627-20-7 structure
Product Name:1,2,3,4-tetrachloro-5-methyl-6-nitrobenzene
CAS No:67627-20-7
MF:C7H3Cl4NO2
MW:274.916218042374
CID:1720341
PubChem ID:186797
Update Time:2025-04-21
1,2,3,4-tetrachloro-5-methyl-6-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3,4-tetrachloro-5-methyl-6-nitrobenzene
- 67627-20-7
- DTXSID60217950
-
- Inchi： 1S/C7H3Cl4NO2/c1-2-3(8)4(9)5(10)6(11)7(2)12(13)14/h1H3
- InChI Key： ITWGFVBULTWHHD-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C(=C1C)[N+](=O)[O-])Cl)Cl)Cl
Computed Properties
- Exact Mass: 272.89199
- Monoisotopic Mass: 272.891789g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 234
- 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: 4.6
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
1,2,3,4-tetrachloro-5-methyl-6-nitrobenzene Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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