Cas no 90102-75-3 (Acetic acid, iodo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester)
90102-75-3 structure
Product Name:Acetic acid, iodo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
CAS No:90102-75-3
MF:C8H10IN3O4
MW:339.087173938751
CID:794187
PubChem ID:13339450
Update Time:2025-04-19
Acetic acid, iodo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, iodo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
- 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-iodoacetate
- 90102-75-3
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl iodoacetate
- DTXSID90537390
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- Inchi： 1S/C8H10IN3O4/c1-6-10-5-7(12(14)15)11(6)2-3-16-8(13)4-9/h5H,2-4H2,1H3
- InChI Key： VLRNEHVAKGJZKP-UHFFFAOYSA-N
- SMILES： ICC(=O)OCCN1C(=CN=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 338.97160g/mol
- Monoisotopic Mass: 338.97160g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 271
- 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: 1
- Topological Polar Surface Area: 89.9?2
Acetic acid, iodo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
90102-75-3 (Acetic acid, iodo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester) Related Products
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