Cas no 58764-22-0 (Benzoic acid, 4-(2-bromo-1-oxopropyl)-, methyl ester)
58764-22-0 structure
Product Name:Benzoic acid, 4-(2-bromo-1-oxopropyl)-, methyl ester
CAS No:58764-22-0
MF:C11H11BrO3
MW:271.107242822647
CID:340969
PubChem ID:20395191
Update Time:2025-04-19
Benzoic acid, 4-(2-bromo-1-oxopropyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(2-bromo-1-oxopropyl)-, methyl ester
- methyl 4-(2-bromopropanoyl)benzoate
- LIXAPTRTCGQDGE-UHFFFAOYSA-N
- 4-(2-bromo-propionyl)-benzoic acid methyl ester
- 58764-22-0
- alpha-bromo-p-carbomethoxypropiophenone
- SCHEMBL1147059
- DTXSID00606703
-
- Inchi： 1S/C11H11BrO3/c1-7(12)10(13)8-3-5-9(6-4-8)11(14)15-2/h3-7H,1-2H3
- InChI Key： LIXAPTRTCGQDGE-UHFFFAOYSA-N
- SMILES： BrC(C)C(C1C=CC(C(=O)OC)=CC=1)=O
Computed Properties
- Exact Mass: 269.98913
- Monoisotopic Mass: 269.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 244
- 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: 2.7
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Benzoic acid, 4-(2-bromo-1-oxopropyl)-, methyl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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