Cas no 86123-08-2 (Benzoic acid, 4-(bromomethyl)-, 2-oxo-2-phenylethyl ester)
86123-08-2 structure
Product Name:Benzoic acid, 4-(bromomethyl)-, 2-oxo-2-phenylethyl ester
CAS No:86123-08-2
MF:C16H13BrO3
MW:333.176624059677
CID:662581
PubChem ID:54193597
Update Time:2025-04-19
Benzoic acid, 4-(bromomethyl)-, 2-oxo-2-phenylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-(bromomethyl)-, 2-oxo-2-phenylethyl ester
- phenacyl 4-(bromomethyl)benzoate
- 2-Oxo-2-phenylethyl 4-(bromomethyl)benzoate
- 86123-08-2
- UFISCJISMUQEFR-UHFFFAOYSA-N
- SCHEMBL6777691
- 4-(Bromomethyl)benzoic acid phenacyl ester
- DTXSID40709681
-
- Inchi： 1S/C16H13BrO3/c17-10-12-6-8-14(9-7-12)16(19)20-11-15(18)13-4-2-1-3-5-13/h1-9H,10-11H2
- InChI Key： UFISCJISMUQEFR-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C(=O)OCC(C2C=CC=CC=2)=O)=CC=1
Computed Properties
- Exact Mass: 332.00481g/mol
- Monoisotopic Mass: 332.00481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 329
- 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: 3.7
- Topological Polar Surface Area: 43.4?2
Benzoic acid, 4-(bromomethyl)-, 2-oxo-2-phenylethyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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