Cas no 1374134-44-7 (Ethyl 5-bromo-1,4-dimethyl-1H-pyrrole-2-carboxylate)
1374134-44-7 structure
Product Name:Ethyl 5-bromo-1,4-dimethyl-1H-pyrrole-2-carboxylate
CAS No:1374134-44-7
MF:C9H12BrNO2
MW:246.101081848145
CID:2126295
Update Time:2023-08-04
Ethyl 5-bromo-1,4-dimethyl-1H-pyrrole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 5-bromo-1,4-dimethyl-1H-pyrrole-2-carboxylate
- KCLZYSWHWYIDGT-UHFFFAOYSA-N
- Ethyl 5-bromo-1,4-dimethyl-1H-pyrrole-2-carboxylate
-
- Inchi： 1S/C9H12BrNO2/c1-4-13-9(12)7-5-6(2)8(10)11(7)3/h5H,4H2,1-3H3
- InChI Key： KCLZYSWHWYIDGT-UHFFFAOYSA-N
- SMILES： BrC1=C(C)C=C(C(=O)OCC)N1C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 198
- Topological Polar Surface Area: 31.2
Ethyl 5-bromo-1,4-dimethyl-1H-pyrrole-2-carboxylate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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