Cas no 59106-55-7 (Benzene, 1-bromo-5-chloro-2-methoxy-3-methyl-)
59106-55-7 structure
Product Name:Benzene, 1-bromo-5-chloro-2-methoxy-3-methyl-
CAS No:59106-55-7
MF:C8H8BrClO
MW:235.505520820618
CID:339814
PubChem ID:20517080
Update Time:2025-04-19
Benzene, 1-bromo-5-chloro-2-methoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-5-chloro-2-methoxy-3-methyl-
- 1-bromo-5-chloro-2-methoxy-3-methylbenzene
- SCHEMBL11271329
- 59106-55-7
- DTXSID70608310
-
- Inchi： 1S/C8H8BrClO/c1-5-3-6(10)4-7(9)8(5)11-2/h3-4H,1-2H3
- InChI Key： SSIJIKHMICMXGH-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC(C)=C1OC)Cl
Computed Properties
- Exact Mass: 233.94474
- Monoisotopic Mass: 233.94471g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 131
- 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: 3.6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-bromo-5-chloro-2-methoxy-3-methyl- Related Literature
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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