Cas no 62605-97-4 (Benzenamine, 3-(methylsulfonyl)-5-nitro-)
62605-97-4 structure
Product Name:Benzenamine, 3-(methylsulfonyl)-5-nitro-
CAS No:62605-97-4
MF:C7H8N2O4S
MW:216.214420318604
CID:438400
PubChem ID:67359315
Update Time:2025-04-19
Benzenamine, 3-(methylsulfonyl)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 3-(methylsulfonyl)-5-nitro-
- 3-methylsulfonyl-5-nitroaniline
- 3-methansulfonyl-5-nitro-phenylamine
- 3-(Methylsulfonyl)-5-nitro-aniline
- 3-methylsulfonyl-5-nitro-aniline
- SCHEMBL2311386
- XLUJTNBOIUHWGV-UHFFFAOYSA-N
- 62605-97-4
- 3-(Methanesulfonyl)-5-nitroaniline
- DTXSID60737143
-
- Inchi： 1S/C7H8N2O4S/c1-14(12,13)7-3-5(8)2-6(4-7)9(10)11/h2-4H,8H2,1H3
- InChI Key： XLUJTNBOIUHWGV-UHFFFAOYSA-N
- SMILES： S(C)(C1C=C(C=C(C=1)[N+](=O)[O-])N)(=O)=O
Computed Properties
- Exact Mass: 216.02054
- Monoisotopic Mass: 216.02047791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 316
- 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: 0.3
- Topological Polar Surface Area: 114?2
Experimental Properties
- PSA: 103.3
Benzenamine, 3-(methylsulfonyl)-5-nitro- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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