Cas no 88208-70-2 (Benzoic acid, 4-bromo-2,5-dimethoxy-3-methyl-, methyl ester)
88208-70-2 structure
Product Name:Benzoic acid, 4-bromo-2,5-dimethoxy-3-methyl-, methyl ester
CAS No:88208-70-2
MF:C11H13BrO4
MW:289.122523069382
CID:641236
PubChem ID:71410038
Update Time:2025-04-19
Benzoic acid, 4-bromo-2,5-dimethoxy-3-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-bromo-2,5-dimethoxy-3-methyl-, methyl ester
- methyl 4-bromo-2,5-dimethoxy-3-methylbenzoate
- DTXSID60829739
- 88208-70-2
-
- Inchi： 1S/C11H13BrO4/c1-6-9(12)8(14-2)5-7(10(6)15-3)11(13)16-4/h5H,1-4H3
- InChI Key： QYIXFZUODOQWRF-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(=O)OC)C(=C1C)OC)OC
Computed Properties
- Exact Mass: 287.99972g/mol
- Monoisotopic Mass: 287.99972g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 246
- 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: 2.8
- Topological Polar Surface Area: 44.8?2
Benzoic acid, 4-bromo-2,5-dimethoxy-3-methyl-, methyl ester Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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