Cas no 882679-22-3 (3-Iodo-4-methyl-2-nitrobenzoic acid)
882679-22-3 structure
Product Name:3-Iodo-4-methyl-2-nitrobenzoic acid
CAS No:882679-22-3
MF:C8H6INO4
MW:307.042014598846
CID:2129906
Update Time:2023-08-04
3-Iodo-4-methyl-2-nitrobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-iodo-4-methyl-2-nitrobenzoic acid
- JJEOBMVZKBUYAE-UHFFFAOYSA-N
- Benzoicacid,3-iodo-4-methyl-2-nitro-
- 3-Iodo-4-methyl-2-nitrobenzoic acid
-
- Inchi： 1S/C8H6INO4/c1-4-2-3-5(8(11)12)7(6(4)9)10(13)14/h2-3H,1H3,(H,11,12)
- InChI Key： JJEOBMVZKBUYAE-UHFFFAOYSA-N
- SMILES： IC1C(=C(C(=O)O)C=CC=1C)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 252
- Topological Polar Surface Area: 83.1
3-Iodo-4-methyl-2-nitrobenzoic acid Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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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