Cas no 765944-34-1 (Benzoic acid, 2-bromo-5-ethoxy-, methyl ester)
765944-34-1 structure
Product Name:Benzoic acid, 2-bromo-5-ethoxy-, methyl ester
CAS No:765944-34-1
MF:C10H11BrO3
MW:259.096542596817
CID:530630
PubChem ID:69128926
Update Time:2025-04-19
Benzoic acid, 2-bromo-5-ethoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-bromo-5-ethoxy-, methyl ester
- methyl 2-bromo-5-ethoxybenzoate
- 765944-34-1
- DTXSID50739873
- NWUTUUJXNFWIAI-UHFFFAOYSA-N
- A1-05331
- 2-Bromo-5-ethoxybenzoic acid methyl ester
- SCHEMBL4649362
-
- Inchi： 1S/C10H11BrO3/c1-3-14-7-4-5-9(11)8(6-7)10(12)13-2/h4-6H,3H2,1-2H3
- InChI Key： NWUTUUJXNFWIAI-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1C(=O)OC)OCC
Computed Properties
- Exact Mass: 257.98916g/mol
- Monoisotopic Mass: 257.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 196
- 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: 3.8
- Topological Polar Surface Area: 35.5?2
Benzoic acid, 2-bromo-5-ethoxy-, methyl ester Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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