Cas no 133871-69-9 (Benzaldehyde, 2,4,6-tribromo-3-methoxy-)
133871-69-9 structure
Product Name:Benzaldehyde, 2,4,6-tribromo-3-methoxy-
CAS No:133871-69-9
MF:C8H5Br3O2
MW:372.83610033989
CID:1234028
PubChem ID:15694321
Update Time:2025-04-20
Benzaldehyde, 2,4,6-tribromo-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2,4,6-tribromo-3-methoxy-
- 2,4,6-tribromo-3-methoxybenzaldehyde
- 133871-69-9
- DTXSID50576967
- SCHEMBL4264149
-
- Inchi: 1S/C8H5Br3O2/c1-13-8-6(10)2-5(9)4(3-12)7(8)11/h2-3H,1H3
- InChI Key: UFQAZAHRAQNQJR-UHFFFAOYSA-N
- SMILES: BrC1C(C=O)=C(C=C(C=1OC)Br)Br
Computed Properties
- Exact Mass: 369.78385
- Monoisotopic Mass: 369.78397g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 188
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzaldehyde, 2,4,6-tribromo-3-methoxy- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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