Cas no 53704-74-8 (Ethanone, 2-bromo-1-(4-propoxyphenyl)-)
53704-74-8 structure
Product Name:Ethanone, 2-bromo-1-(4-propoxyphenyl)-
CAS No:53704-74-8
MF:C11H13BrO2
MW:257.123722791672
CID:356602
PubChem ID:14617326
Update Time:2025-04-19
Ethanone, 2-bromo-1-(4-propoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 2-bromo-1-(4-propoxyphenyl)-
- 2-bromo-1-(4-propoxyphenyl)ethanone
- 2-Bromo-1-(4-propoxyphenyl)ethan-1-one
- 53704-74-8
- CCOJXLZTTRVBFI-UHFFFAOYSA-N
- AKOS000210792
- DTXSID80562237
- SCHEMBL5057170
- 2-bromo-4'-propoxyacetophenone
-
- Inchi： 1S/C11H13BrO2/c1-2-7-14-10-5-3-9(4-6-10)11(13)8-12/h3-6H,2,7-8H2,1H3
- InChI Key： CCOJXLZTTRVBFI-UHFFFAOYSA-N
- SMILES： BrCC(C1C=CC(=CC=1)OCCC)=O
Computed Properties
- Exact Mass: 256.00989
- Monoisotopic Mass: 256.00989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 174
- 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: 3.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Ethanone, 2-bromo-1-(4-propoxyphenyl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Jason Wan Lab Chip, 2020,20, 4528-4538
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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