Cas no 187963-86-6 (Benzoic acid, 4-(4-bromo-3-thienyl)-, ethyl ester)
187963-86-6 structure
Product Name:Benzoic acid, 4-(4-bromo-3-thienyl)-, ethyl ester
CAS No:187963-86-6
MF:C13H11BrO2S
MW:311.194241762161
CID:1383198
Update Time:2024-08-16
Benzoic acid, 4-(4-bromo-3-thienyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(4-bromo-3-thienyl)-, ethyl ester
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- Inchi： 1S/C13H11BrO2S/c1-2-16-13(15)10-5-3-9(4-6-10)11-7-17-8-12(11)14/h3-8H,2H2,1H3
- InChI Key： PMTVGAWGXSGKKB-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)C1=CC=C(C2C(Br)=CSC=2)C=C1
Computed Properties
- Exact Mass: 309.96633
Experimental Properties
- Density: 1.448±0.06 g/cm3(Predicted)
- Boiling Point: 356.3±32.0 °C(Predicted)
- PSA: 26.3
Benzoic acid, 4-(4-bromo-3-thienyl)-, ethyl ester Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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