Cas no 89303-27-5 (Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]-)
![Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]- structure](https://ossimg.kuujia.com/scimg/89500/89303-27-5x500.png)
89303-27-5 structure
Product Name:Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]-
CAS No:89303-27-5
MF:C14H13NO4S
MW:291.32232260704
CID:604856
PubChem ID:10017159
Update Time:2025-04-19
Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]-
- 4-(benzenesulfonylmethyl)-2-methyl-1-nitrobenzene
- 89303-27-5
- DTXSID00434280
-
- Inchi： 1S/C14H13NO4S/c1-11-9-12(7-8-14(11)15(16)17)10-20(18,19)13-5-3-2-4-6-13/h2-9H,10H2,1H3
- InChI Key： FNULMAFKXLXMHH-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(CC1C=CC(=C(C)C=1)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 291.05652907g/mol
- Monoisotopic Mass: 291.05652907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 431
- 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: 2.8
- Topological Polar Surface Area: 88.3?2
Benzene, 2-methyl-1-nitro-4-[(phenylsulfonyl)methyl]- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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