Cas no 7243-15-4 (2-[(5-bromothiophen-2-yl)carbonyl]benzoic acid)
![2-[(5-bromothiophen-2-yl)carbonyl]benzoic acid structure](https://ossimg.kuujia.com/scimg/7500/7243-15-4x500.png)
7243-15-4 structure
Product Name:2-[(5-bromothiophen-2-yl)carbonyl]benzoic acid
CAS No:7243-15-4
MF:C12H7BrO3S
MW:311.151181459427
CID:1755362
PubChem ID:5260640
Update Time:2025-04-21
2-[(5-bromothiophen-2-yl)carbonyl]benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[(5-bromothiophen-2-yl)carbonyl]benzoic acid
- 2-(5-bromothiophene-2-carbonyl)benzoic acid
- o-(5-bromo-2-thenoyl)benzoic acid
- DTXSID00413979
- 7243-15-4
- MFCD06496185
- 2-[(5-bromo-2-thienyl)carbonyl]benzenecarboxylic acid
- 6N-538S
- HMS3360J06
- SCHEMBL9260830
- 2-[(5-bromo-2-thienyl)carbonyl]benzoic acid
- 2-(5-bromothiophene-2-carbonyl)benzoicAcid
- HMS2634F05
- 205644-06-0
- SR-01000307520
- MLS000736245
- CHEMBL1563376
- HFCZZSSOPUJNQH-UHFFFAOYSA-N
- SR-01000307520-1
- AKOS005096385
- SMR000338495
-
- Inchi： 1S/C12H7BrO3S/c13-10-6-5-9(17-10)11(14)7-3-1-2-4-8(7)12(15)16/h1-6H,(H,15,16)
- InChI Key： HFCZZSSOPUJNQH-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(C2C=CC=CC=2C(=O)O)=O)S1
Computed Properties
- Exact Mass: 309.92991
- Monoisotopic Mass: 309.93
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 321
- 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
- Topological Polar Surface Area: 82.6A^2
- XLogP3: 3.8
Experimental Properties
- Density: 1.675
- Boiling Point: 504.4°C at 760 mmHg
- Flash Point: 258.9°C
- Refractive Index: 1.665
- PSA: 54.37
2-[(5-bromothiophen-2-yl)carbonyl]benzoic acid Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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