Cas no 808744-96-9 (1H-Benzimidazole-5-carboxylicacid, 2,7-dimethyl-, ethyl ester)
808744-96-9 structure
Product Name:1H-Benzimidazole-5-carboxylicacid, 2,7-dimethyl-, ethyl ester
CAS No:808744-96-9
MF:C12H14N2O2
MW:218.251762866974
CID:715102
PubChem ID:45097556
Update Time:2025-04-19
1H-Benzimidazole-5-carboxylicacid, 2,7-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-5-carboxylicacid, 2,7-dimethyl-, ethyl ester
- 1H-Benzimidazole-5-carboxylicacid,2,7-dimethyl-,ethylester(9CI)
- ethyl 2,7-dimethyl-3H-benzimidazole-5-carboxylate
- BUOWGBBHRADRBZ-UHFFFAOYSA-N
- 2,7-dimethyl-1h-benzimidazole-5-carboxylic acid ethyl ester
- 808744-96-9
- ethyl 2,4-dimethyl-1H-benzimidazole-6-carboxylate
- 1h-benzimidazole-5-carboxylic acid,2,7-dimethyl-,ethyl ester
- SCHEMBL6487097
-
- Inchi： 1S/C12H14N2O2/c1-4-16-12(15)9-5-7(2)11-10(6-9)13-8(3)14-11/h5-6H,4H2,1-3H3,(H,13,14)
- InChI Key： BUOWGBBHRADRBZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(C)C2=C(C=1)NC(C)=N2)=O
Computed Properties
- Exact Mass: 218.106
- Monoisotopic Mass: 218.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 270
- 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
- Topological Polar Surface Area: 55A^2
- XLogP3: 2.5
1H-Benzimidazole-5-carboxylicacid, 2,7-dimethyl-, ethyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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