Cas no 88208-69-9 (Benzoic acid, 2-bromo-3,6-dimethoxy-5-methyl-, methyl ester)
88208-69-9 structure
Product Name:Benzoic acid, 2-bromo-3,6-dimethoxy-5-methyl-, methyl ester
CAS No:88208-69-9
MF:C11H13BrO4
MW:289.122523069382
CID:641237
PubChem ID:71410039
Update Time:2025-04-19
Benzoic acid, 2-bromo-3,6-dimethoxy-5-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-bromo-3,6-dimethoxy-5-methyl-, methyl ester
- methyl 2-bromo-3,6-dimethoxy-5-methylbenzoate
- 88208-69-9
- DTXSID70829740
-
- Inchi： 1S/C11H13BrO4/c1-6-5-7(14-2)9(12)8(10(6)15-3)11(13)16-4/h5H,1-4H3
- InChI Key： SYOKASWZTJVIKY-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(C)=C(C=1C(=O)OC)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, 2-bromo-3,6-dimethoxy-5-methyl-, methyl ester Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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