Cas no 741699-23-0 (Ethanol, 2-(4-bromo-3,5-dimethylphenoxy)-)
741699-23-0 structure
Product Name:Ethanol, 2-(4-bromo-3,5-dimethylphenoxy)-
CAS No:741699-23-0
MF:C10H13BrO2
MW:245.113022565842
CID:4166065
PubChem ID:23090728
Update Time:2025-04-24
Ethanol, 2-(4-bromo-3,5-dimethylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2-(4-bromo-3,5-dimethylphenoxy)-
- 741699-23-0
- 2-(4-bromo-3,5-dimethylphenoxy)ethanol
- DTXSID301281731
- SCHEMBL3189656
-
- Inchi: 1S/C10H13BrO2/c1-7-5-9(13-4-3-12)6-8(2)10(7)11/h5-6,12H,3-4H2,1-2H3
- InChI Key: NWXUMFJRANUKPR-UHFFFAOYSA-N
- SMILES: C(O)COC1=CC(C)=C(Br)C(C)=C1
Computed Properties
- Exact Mass: 244.00989Da
- Monoisotopic Mass: 244.00989Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 140
- 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: 2.6
- Topological Polar Surface Area: 29.5?2
Ethanol, 2-(4-bromo-3,5-dimethylphenoxy)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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