Cas no 1240287-77-7 (4-(Methylsulfonyl)-2-nitro-1-vinylbenzene)
1240287-77-7 structure
Product Name:4-(Methylsulfonyl)-2-nitro-1-vinylbenzene
CAS No:1240287-77-7
MF:C9H9NO4S
MW:227.237061262131
CID:2135151
Update Time:2023-08-04
4-(Methylsulfonyl)-2-nitro-1-vinylbenzene Chemical and Physical Properties
Names and Identifiers
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- 4-(methylsulfonyl)-2-nitro-1-vinylbenzene
- CUXYQERTCGCTFZ-UHFFFAOYSA-N
- 4-(Methylsulfonyl)-2-nitro-1-vinylbenzene
-
- Inchi： 1S/C9H9NO4S/c1-3-7-4-5-8(15(2,13)14)6-9(7)10(11)12/h3-6H,1H2,2H3
- InChI Key： CUXYQERTCGCTFZ-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(C=C)=C(C=1)[N+](=O)[O-])(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 351
- Topological Polar Surface Area: 88.3
4-(Methylsulfonyl)-2-nitro-1-vinylbenzene Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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