Cas no 363166-41-0 (4-Bromo-3,5-diethoxybenzoic acid)
363166-41-0 structure
Product Name:4-Bromo-3,5-diethoxybenzoic acid
CAS No:363166-41-0
MF:C11H13BrO4
MW:289.122523069382
CID:2107005
Update Time:2023-08-03
4-Bromo-3,5-diethoxybenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-3,5-diethoxybenzoic acid
- JNTZLNJZDRKPSU-UHFFFAOYSA-N
- Benzoic acid, 4-bromo-3,5-diethoxy-
- 4-Bromo-3,5-diethoxybenzoic acid
-
- Inchi： 1S/C11H13BrO4/c1-3-15-8-5-7(11(13)14)6-9(10(8)12)16-4-2/h5-6H,3-4H2,1-2H3,(H,13,14)
- InChI Key： JNTZLNJZDRKPSU-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(C(=O)O)=CC=1OCC)OCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 218
- Topological Polar Surface Area: 55.8
4-Bromo-3,5-diethoxybenzoic acid Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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