Cas no 898834-11-2 (1H-IMIDAZOLE-2-CARBOXYLIC ACID, 5-BROMO-1,4-DIMETHYL-, ETHYL ESTER)
898834-11-2 structure
Product Name:1H-IMIDAZOLE-2-CARBOXYLIC ACID, 5-BROMO-1,4-DIMETHYL-, ETHYL ESTER
CAS No:898834-11-2
MF:C8H11BrN2O2
MW:247.089141130447
CID:3220615
PubChem ID:67253601
Update Time:2025-04-21
1H-IMIDAZOLE-2-CARBOXYLIC ACID, 5-BROMO-1,4-DIMETHYL-, ETHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 1H-IMIDAZOLE-2-CARBOXYLIC ACID, 5-BROMO-1,4-DIMETHYL-, ETHYL ESTER
- Ethyl 5-bromo-1,4-dimethyl-1H-imidazole-2-carboxylate
- SCHEMBL2029380
- FBYHKQHLJANXRN-UHFFFAOYSA-N
- DB-385468
- 5-bromo-1,4-dimethyl-1H-imidazole-2-carboxylic acid ethyl ester
- 898834-11-2
-
- Inchi： 1S/C8H11BrN2O2/c1-4-13-8(12)7-10-5(2)6(9)11(7)3/h4H2,1-3H3
- InChI Key： FBYHKQHLJANXRN-UHFFFAOYSA-N
- SMILES： C1(C(OCC)=O)N(C)C(Br)=C(C)N=1
Computed Properties
- Exact Mass: 246.00039Da
- Monoisotopic Mass: 246.00039Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 201
- 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: 2
- Topological Polar Surface Area: 44.1?2
1H-IMIDAZOLE-2-CARBOXYLIC ACID, 5-BROMO-1,4-DIMETHYL-, ETHYL ESTER Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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