Cas no 868211-67-0 (1H-Imidazole-2-carboxylic acid, 1-(2-bromoethyl)-, methyl ester)
868211-67-0 structure
Product Name:1H-Imidazole-2-carboxylic acid, 1-(2-bromoethyl)-, methyl ester
CAS No:868211-67-0
MF:C7H9BrN2O2
MW:233.062560796738
CID:1863638
PubChem ID:68926454
Update Time:2025-04-21
1H-Imidazole-2-carboxylic acid, 1-(2-bromoethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carboxylic acid, 1-(2-bromoethyl)-, methyl ester
- SCHEMBL4135169
- methyl 1-(2-bromoethyl)-1H-imidazole-2-carboxylate
- DB-401700
- 868211-67-0
-
- Inchi： 1S/C7H9BrN2O2/c1-12-7(11)6-9-3-5-10(6)4-2-8/h3,5H,2,4H2,1H3
- InChI Key： ITBQUBKIWUGQGH-UHFFFAOYSA-N
- SMILES： BrCCN1C=CN=C1C(=O)OC
Computed Properties
- Exact Mass: 231.98474Da
- Monoisotopic Mass: 231.98474Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 165
- 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: 44.1?2
1H-Imidazole-2-carboxylic acid, 1-(2-bromoethyl)-, methyl ester Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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