Cas no 1040323-78-1 (2-(3-Methoxybenzyloxy)-5-bromobenzoic acid)
1040323-78-1 structure
Product Name:2-(3-Methoxybenzyloxy)-5-bromobenzoic acid
CAS No:1040323-78-1
MF:C15H13BrO4
MW:337.165323972702
CID:2112060
Update Time:2023-08-04
2-(3-Methoxybenzyloxy)-5-bromobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-methoxybenzyloxy)-5-bromobenzoic acid
- RHNMHQNTNNSFMZ-UHFFFAOYSA-N
- Benzoic acid, 5-bromo-2-[(3-methoxyphenyl)methoxy]-
- 5-Bromo-2-({[3-(methyloxy)phenyl]methyl}oxy)benzoic acid
- 2-(3-Methoxybenzyloxy)-5-bromobenzoic acid
-
- Inchi： 1S/C15H13BrO4/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(16)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)
- InChI Key： RHNMHQNTNNSFMZ-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C(=O)O)C=1)OCC1C=CC=C(C=1)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 323
- Topological Polar Surface Area: 55.8
2-(3-Methoxybenzyloxy)-5-bromobenzoic acid Related Literature
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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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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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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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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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