Cas no 77614-39-2 (Benzeneacetic acid,4-[(5-bromo-2-thienyl)carbonyl]-a-methyl-)
![Benzeneacetic acid,4-[(5-bromo-2-thienyl)carbonyl]-a-methyl- structure](https://ossimg.kuujia.com/scimg/78000/77614-39-2x500.png)
77614-39-2 structure
Product Name:Benzeneacetic acid,4-[(5-bromo-2-thienyl)carbonyl]-a-methyl-
CAS No:77614-39-2
MF:C14H11BrO3S
MW:339.204342126846
CID:563831
PubChem ID:3060061
Update Time:2025-04-19
Benzeneacetic acid,4-[(5-bromo-2-thienyl)carbonyl]-a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,4-[(5-bromo-2-thienyl)carbonyl]-a-methyl-
- 4-((5-Bromo-2-thienyl)carbonyl)-alpha-methylbenzeneacetic acid
- 2-[4-(5-bromothiophene-2-carbonyl)phenyl]propanoic acid
- DTXSID30998825
- Benzeneacetic acid, 4-((5-bromo-2-thienyl)carbonyl)-alpha-methyl-
- 77614-39-2
-
- Inchi： 1S/C14H11BrO3S/c1-8(14(17)18)9-2-4-10(5-3-9)13(16)11-6-7-12(15)19-11/h2-8H,1H3,(H,17,18)
- InChI Key： MIDVSBUJTYXYLJ-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(C2C=CC(=CC=2)C(C(=O)O)C)=O)S1
Computed Properties
- Exact Mass: 337.961
- Monoisotopic Mass: 337.961
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 353
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 82.6?2
Experimental Properties
- Density: 1.556
- Boiling Point: 488.6°C at 760 mmHg
- Flash Point: 249.3°C
- Refractive Index: 1.633
Benzeneacetic acid,4-[(5-bromo-2-thienyl)carbonyl]-a-methyl- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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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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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
77614-39-2 (Benzeneacetic acid,4-[(5-bromo-2-thienyl)carbonyl]-a-methyl-) Related Products
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