Cas no 196818-49-2 ([3-Isopropylnitrobenzene])
[3-Isopropylnitrobenzene] structure
Product Name:[3-Isopropylnitrobenzene]
CAS No:196818-49-2
MF:C9H11NO2
MW:165.189142465591
CID:1108525
PubChem ID:591251
Update Time:2025-04-20
[3-Isopropylnitrobenzene] Chemical and Physical Properties
Names and Identifiers
-
- [3-Isopropylnitrobenzene]
- 1-Isopropyl-3-nitrobenzene
- m-nitroisopropylbenzene
- 3-Nitroisopropylbenzene
- Cumene, m-nitro-
- Benzene, 1-(1-methylethyl)-3-nitro-
- MFCD00092917
- 1-nitro-3-propan-2-ylbenzene
- m-Isopropylnitrobenzene
- A856764
- DB-315473
- AKOS015890280
- 3-Isopropylnitrobenzene
- 6526-74-5
- 2-(m-Nitrophenyl)propane
- 3-Nitrocumene
- m-Nitrocumene
- SCHEMBL254876
- 1-Isopropyl-3-nitrobenzene #
- 196818-49-2
-
- Inchi: 1S/C9H11NO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3
- InChI Key: NRKSONABASVOGU-UHFFFAOYSA-N
- SMILES: [O-][N+](C1=CC=CC(=C1)C(C)C)=O
Computed Properties
- Exact Mass: 165.078978594g/mol
- Monoisotopic Mass: 165.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 162
- 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: 3.2
- Topological Polar Surface Area: 45.8?2
[3-Isopropylnitrobenzene] Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
196818-49-2 ([3-Isopropylnitrobenzene]) Related Products
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