Cas no 67532-39-2 (Benzene, 1-bromo-3-(4-methylphenoxy)-)
67532-39-2 structure
Product Name:Benzene, 1-bromo-3-(4-methylphenoxy)-
CAS No:67532-39-2
MF:C13H11BrO
MW:263.129842996597
CID:394679
PubChem ID:13166068
Update Time:2025-04-19
Benzene, 1-bromo-3-(4-methylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-3-(4-methylphenoxy)-
- 1-bromo-3-(4-methylphenoxy)benzene
- SCHEMBL2628178
- DTXSID70524167
- 67532-39-2
-
- Inchi: 1S/C13H11BrO/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-9H,1H3
- InChI Key: FACYPSOSUDETHE-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(=C1)OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 261.99933
- Monoisotopic Mass: 261.99933g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 187
- 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: 4.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1-bromo-3-(4-methylphenoxy)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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