Cas no 773128-72-6 (Benzoic acid, 4-bromo-2-(methylsulfonyl)-, ethyl ester)
773128-72-6 structure
Product Name:Benzoic acid, 4-bromo-2-(methylsulfonyl)-, ethyl ester
CAS No:773128-72-6
MF:C10H11BrO4S
MW:307.160941362381
CID:536326
PubChem ID:59251585
Update Time:2025-04-19
Benzoic acid, 4-bromo-2-(methylsulfonyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-bromo-2-(methylsulfonyl)-, ethyl ester
- ethyl 4-bromo-2-methylsulfonylbenzoate
- DTXSID10731353
- 4-bromo-2-methanesulfonyl-benzoic acid ethyl ester
- Ethyl 4-bromo-2-(methanesulfonyl)benzoate
- ethyl 4-bromo-2-methanesulfonylbenzoate
- SCHEMBL3472808
- QPESNLGXWNKLCW-UHFFFAOYSA-N
- 773128-72-6
-
- Inchi： 1S/C10H11BrO4S/c1-3-15-10(12)8-5-4-7(11)6-9(8)16(2,13)14/h4-6H,3H2,1-2H3
- InChI Key： QPESNLGXWNKLCW-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C(=O)OCC)=C(C=1)S(C)(=O)=O
Computed Properties
- Exact Mass: 305.95614g/mol
- Monoisotopic Mass: 305.95614g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 346
- 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: 2.1
- Topological Polar Surface Area: 68.8?2
Benzoic acid, 4-bromo-2-(methylsulfonyl)-, ethyl ester Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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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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