Cas no 685895-45-8 (Benzaldehyde, 6-bromo-2,4-dihydroxy-3-methyl-)
685895-45-8 structure
Product Name:Benzaldehyde, 6-bromo-2,4-dihydroxy-3-methyl-
CAS No:685895-45-8
MF:C8H7BrO3
MW:231.043381929398
CID:1729199
PubChem ID:11701395
Update Time:2025-04-21
Benzaldehyde, 6-bromo-2,4-dihydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 6-bromo-2,4-dihydroxy-3-methyl-
- 6-bromo-2,4-dihydroxy-3-methylbenzaldehyde
- 6-bromo-2,4-dihydroxy-3-methylbenzalde-hyde
- 685895-45-8
- DTXSID80470823
-
- Inchi： 1S/C8H7BrO3/c1-4-7(11)2-6(9)5(3-10)8(4)12/h2-3,11-12H,1H3
- InChI Key： POLBPMQUUAUDAL-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(C)=C(C=1C=O)O)O
Computed Properties
- Exact Mass: 229.95781
- Monoisotopic Mass: 229.95786g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 174
- 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: 2.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzaldehyde, 6-bromo-2,4-dihydroxy-3-methyl- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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