Cas no 1240287-49-3 (Benzene, 1-(1-methylethenyl)-4-(methylsulfonyl)-2-nitro-)
1240287-49-3 structure
Product Name:Benzene, 1-(1-methylethenyl)-4-(methylsulfonyl)-2-nitro-
CAS No:1240287-49-3
MF:C10H11NO4S
MW:241.26364159584
CID:2106695
Update Time:2023-08-03
Benzene, 1-(1-methylethenyl)-4-(methylsulfonyl)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4-(methylsulfonyl)-2-nitro-1-(prop-1-en-2-yl)benzene
- Benzene, 1-(1-methylethenyl)-4-(methylsulfonyl)-2-nitro-
- JZKAVZNTHQRRMS-UHFFFAOYSA-N
- 1-isopropenyl-4-(methylsulfonyl)-2-nitrobenzene
-
- Inchi： 1S/C10H11NO4S/c1-7(2)9-5-4-8(16(3,14)15)6-10(9)11(12)13/h4-6H,1H2,2-3H3
- InChI Key： JZKAVZNTHQRRMS-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(C(=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: 16
- Rotatable Bond Count: 2
- Complexity: 390
- Topological Polar Surface Area: 88.3
Benzene, 1-(1-methylethenyl)-4-(methylsulfonyl)-2-nitro- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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