Cas no 208465-67-2 (4-Oxazolecarboxylicacid, 2-(iodomethyl)-, methyl ester)
208465-67-2 structure
Product Name:4-Oxazolecarboxylicacid, 2-(iodomethyl)-, methyl ester
CAS No:208465-67-2
MF:C6H6INO3
MW:267.021214008331
CID:242032
PubChem ID:15409062
Update Time:2025-04-19
4-Oxazolecarboxylicacid, 2-(iodomethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylicacid, 2-(iodomethyl)-, methyl ester
- Methyl 2-(iodomethyl)-1,3-oxazole-4-carboxylate
- METHYL 2-IODOMETHYL-4-OXAZOLECARBOXYLATE
- 2-iodomethyloxazole-4-carboxylic acid methyl ester
- AG-E-53086
- AGN-PC-00P5K3
- CTK4E5287
- methyl 2-(iodomethyl)oxazole-4-carboxylate
- METHYL2-IODOMETHYL-4-OXAZOLECARBOXYLATE
- 208465-67-2
- DTXSID30572508
-
- Inchi： 1S/C6H6INO3/c1-10-6(9)4-3-11-5(2-7)8-4/h3H,2H2,1H3
- InChI Key： HERNZIHLCAVCNO-UHFFFAOYSA-N
- SMILES： ICC1=NC(C(=O)OC)=CO1
Computed Properties
- Exact Mass: 266.93878
- Monoisotopic Mass: 266.93924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 153
- 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: 1.6
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.33
4-Oxazolecarboxylicacid, 2-(iodomethyl)-, methyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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