Cas no 648432-78-4 (2-Butanone, 4-(acetyloxy)-3-bromo-)
648432-78-4 structure
Product Name:2-Butanone, 4-(acetyloxy)-3-bromo-
CAS No:648432-78-4
MF:C6H9BrO3
MW:209.037861585617
CID:414643
PubChem ID:71378394
Update Time:2025-04-19
2-Butanone, 4-(acetyloxy)-3-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 4-(acetyloxy)-3-bromo-
- (2-bromo-3-oxobutyl) acetate
- 2-Bromo-3-oxobutyl acetatato
- DTXSID60801015
- 648432-78-4
-
- Inchi： 1S/C6H9BrO3/c1-4(8)6(7)3-10-5(2)9/h6H,3H2,1-2H3
- InChI Key： AZSCKBODRKBTOA-UHFFFAOYSA-N
- SMILES： BrC(C(C)=O)COC(C)=O
Computed Properties
- Exact Mass: 207.97351g/mol
- Monoisotopic Mass: 207.97351g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 144
- 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: 0.7
- Topological Polar Surface Area: 43.4?2
2-Butanone, 4-(acetyloxy)-3-bromo- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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