Cas no 220504-68-7 (methyl 3-acetoxy-4-(bromomethyl)benzoate)
220504-68-7 structure
Product Name:methyl 3-acetoxy-4-(bromomethyl)benzoate
CAS No:220504-68-7
MF:C11H11BrO4
MW:287.106642961502
CID:238761
PubChem ID:10732001
Update Time:2025-04-19
methyl 3-acetoxy-4-(bromomethyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-acetoxy-4-(bromomethyl)benzoate
- Benzoic acid, 3-(acetyloxy)-4-(bromomethyl)-, methyl ester
- methyl 3-acetyloxy-4-(bromomethyl)benzoate
- SCHEMBL1017686
- 220504-68-7
- DTXSID80444140
- AKOS015890957
-
- Inchi： 1S/C11H11BrO4/c1-7(13)16-10-5-8(11(14)15-2)3-4-9(10)6-12/h3-5H,6H2,1-2H3
- InChI Key： QFYULPMDFDDDME-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C(=O)OC)=CC=1OC(C)=O
Computed Properties
- Exact Mass: 285.98403
- Monoisotopic Mass: 285.98407g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 267
- 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: 2.1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
methyl 3-acetoxy-4-(bromomethyl)benzoate Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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