Cas no 1027134-70-8 (4-Bromo-1-methyl-1H-imidazole-2-carboxylic acid)
1027134-70-8 structure
Product Name:4-Bromo-1-methyl-1H-imidazole-2-carboxylic acid
CAS No:1027134-70-8
MF:C5H5BrN2O2
MW:205.009400129318
CID:6620713
PubChem ID:10104571
Update Time:2023-12-05
4-Bromo-1-methyl-1H-imidazole-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-1-methyl-1H-imidazole-2-carboxylic acid
- 1027134-70-8
- EN300-7150099
- SCHEMBL17006966
-
- Inchi： 1S/C5H5BrN2O2/c1-8-2-3(6)7-4(8)5(9)10/h2H,1H3,(H,9,10)
- InChI Key： DCILOLXXRCFJFF-UHFFFAOYSA-N
- SMILES： BrC1=CN(C)C(C(=O)O)=N1
Computed Properties
- Exact Mass: 203.95344g/mol
- Monoisotopic Mass: 203.95344g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- 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: 0.9
- Topological Polar Surface Area: 55.1?2
4-Bromo-1-methyl-1H-imidazole-2-carboxylic acid Related Literature
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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