Cas no 18910-19-5 (Benzenepropanoic acid,4-acetyl-a-bromo-)
18910-19-5 structure
Product Name:Benzenepropanoic acid,4-acetyl-a-bromo-
CAS No:18910-19-5
MF:C11H11BrO3
MW:271.107242822647
CID:203934
PubChem ID:265271
Update Time:2025-04-19
Benzenepropanoic acid,4-acetyl-a-bromo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,4-acetyl-a-bromo-
- 3-(4-ACETYLPHENYL)-2-BROMOPROPANOIC ACID
- 2-bromo-3-(4-acetylphenyl)propanoic acid
- AC1L6DLU
- AC1Q243P
- AR-1E6741
- CTK4E0032
- NCIOpen2_006770
- NSC101130
- SBB068889
- 3-(4-acetyl-phenyl)-2-bromo-propionic acid
- AKOS015917365
- SCHEMBL2559396
- OTXNYZKECLXPSN-UHFFFAOYSA-N
- DTXSID00295313
- NSC-101130
- 18910-19-5
- 4-Acetyl-alfa-bromohydrocinnamicacid
- FT-0654133
- Benzenepropanoic acid, 4-acetyl-alpha-bromo-
- A813300
- Benzenepropanoic acid, 4-acetyl-a-bromo-
-
- Inchi： 1S/C11H11BrO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
- InChI Key： OTXNYZKECLXPSN-UHFFFAOYSA-N
- SMILES： BrC(C(=O)O)CC1C=CC(C(C)=O)=CC=1
Computed Properties
- Exact Mass: 269.98913
- Monoisotopic Mass: 269.989
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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
- Topological Polar Surface Area: 54.4A^2
- XLogP3: 2.3
Experimental Properties
- Density: 1.519
- Boiling Point: 389.5°Cat760mmHg
- Flash Point: 189.4°C
- Refractive Index: 1.583
- PSA: 54.37
- LogP: 2.27980
Benzenepropanoic acid,4-acetyl-a-bromo- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
18910-19-5 (Benzenepropanoic acid,4-acetyl-a-bromo-) Related Products
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