Cas no 105705-31-5 (Benzene, 2-bromo-1-(chloromethyl)-3,5-dimethoxy-)
105705-31-5 structure
Product Name:Benzene, 2-bromo-1-(chloromethyl)-3,5-dimethoxy-
CAS No:105705-31-5
MF:C9H10BrClO2
MW:265.531501293182
CID:1160460
PubChem ID:21882870
Update Time:2025-04-20
Benzene, 2-bromo-1-(chloromethyl)-3,5-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-bromo-1-(chloromethyl)-3,5-dimethoxy-
- 2-bromo-1-(chloromethyl)-3,5-dimethoxybenzene
- DTXSID10619369
- 105705-31-5
- SCHEMBL3395789
-
- Inchi： 1S/C9H10BrClO2/c1-12-7-3-6(5-11)9(10)8(4-7)13-2/h3-4H,5H2,1-2H3
- InChI Key： ONBLSNZJOMCOSE-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(=CC=1CCl)OC)OC
Computed Properties
- Exact Mass: 263.9553
- Monoisotopic Mass: 263.95527g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 157
- 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: 2.9
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
- LogP: 3.20510
Benzene, 2-bromo-1-(chloromethyl)-3,5-dimethoxy- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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