Cas no 649569-56-2 (2-Thiophenecarboxylicacid, 5-(4-chlorophenyl)-, methyl ester)
649569-56-2 structure
Product Name:2-Thiophenecarboxylicacid, 5-(4-chlorophenyl)-, methyl ester
CAS No:649569-56-2
MF:C12H9ClO2S
MW:252.716661214828
CID:500210
PubChem ID:2823742
Update Time:2025-04-19
2-Thiophenecarboxylicacid, 5-(4-chlorophenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylicacid, 5-(4-chlorophenyl)-, methyl ester
- methyl 5-(4-chlorophenyl)thiophene-2-carboxylate
- HMS556H05
- Maybridge1_005263
- FT-0741175
- MBE 00030
- 649569-56-2
- DTXSID90384947
-
- Inchi： 1S/C12H9ClO2S/c1-15-12(14)11-7-6-10(16-11)8-2-4-9(13)5-3-8/h2-7H,1H3
- InChI Key： JZCUTYCKIFLPKV-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=CC=C(C(=O)OC)S1
Computed Properties
- Exact Mass: 252.00100
- Monoisotopic Mass: 252.001
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 251
- 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: 4.1
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- Density: 1.302
- Boiling Point: 378.6°C at 760 mmHg
- Flash Point: 182.8°C
- Refractive Index: 1.594
- PSA: 54.54000
- LogP: 3.85510
2-Thiophenecarboxylicacid, 5-(4-chlorophenyl)-, methyl ester Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
-
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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