Cas no 65939-67-5 (Ethyl 4-bromo-3,5-diphenyl-1H-pyrrole-2-carboxylate)
65939-67-5 structure
Product Name:Ethyl 4-bromo-3,5-diphenyl-1H-pyrrole-2-carboxylate
CAS No:65939-67-5
MF:C19H16BrNO2
MW:370.239844322205
CID:2794973
PubChem ID:12405697
Update Time:2025-04-21
Ethyl 4-bromo-3,5-diphenyl-1H-pyrrole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- DTXSID20496729
- Ethyl 4-bromo-3,5-diphenyl-1H-pyrrole-2-carboxylate
- 65939-67-5
-
- Inchi： 1S/C19H16BrNO2/c1-2-23-19(22)18-15(13-9-5-3-6-10-13)16(20)17(21-18)14-11-7-4-8-12-14/h3-12,21H,2H2,1H3
- InChI Key： ISJLACMTLRPERE-UHFFFAOYSA-N
- SMILES： BrC1=C(C2C=CC=CC=2)NC(C(=O)OCC)=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 369.03644Da
- Monoisotopic Mass: 369.03644Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 391
- 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: 5.2
- Topological Polar Surface Area: 42.1?2
Ethyl 4-bromo-3,5-diphenyl-1H-pyrrole-2-carboxylate Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
65939-67-5 (Ethyl 4-bromo-3,5-diphenyl-1H-pyrrole-2-carboxylate) Related Products
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