Cas no 88086-69-5 (Benzoic acid, 5-bromo-2-(4-methylphenoxy)-)
88086-69-5 structure
Product Name:Benzoic acid, 5-bromo-2-(4-methylphenoxy)-
CAS No:88086-69-5
MF:C14H11BrO3
MW:307.139343500137
CID:645838
PubChem ID:71411026
Update Time:2025-04-19
Benzoic acid, 5-bromo-2-(4-methylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-bromo-2-(4-methylphenoxy)-
- 5-bromo-2-(4-methylphenoxy)benzoic acid
- DTXSID80830665
- 88086-69-5
-
- Inchi： 1S/C14H11BrO3/c1-9-2-5-11(6-3-9)18-13-7-4-10(15)8-12(13)14(16)17/h2-8H,1H3,(H,16,17)
- InChI Key： HXBXKGGWSPVTIH-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C(=O)O)C=1)OC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 305.98916g/mol
- Monoisotopic Mass: 305.98916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 287
- 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: 4.2
- Topological Polar Surface Area: 46.5?2
Benzoic acid, 5-bromo-2-(4-methylphenoxy)- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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