Cas no 62290-47-5 (Benzoic acid, 4-[(4-bromophenyl)methoxy]-, methyl ester)
![Benzoic acid, 4-[(4-bromophenyl)methoxy]-, methyl ester structure](https://ossimg.kuujia.com/scimg/62500/62290-47-5x500.png)
62290-47-5 structure
Product Name:Benzoic acid, 4-[(4-bromophenyl)methoxy]-, methyl ester
CAS No:62290-47-5
MF:C15H13BrO3
MW:321.165923833847
CID:450634
PubChem ID:60373137
Update Time:2025-04-19
Benzoic acid, 4-[(4-bromophenyl)methoxy]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(4-bromophenyl)methoxy]-, methyl ester
- methyl 4-[(4-bromophenyl)methoxy]benzoate
- AKOS008408654
- A1-05404
- Methyl 4-((4-bromobenzyl)oxy)benzoate
- methyl 4-[(4-bromobenzyl)oxy]benzoate
- DTXSID30733894
- 62290-47-5
-
- Inchi： 1S/C15H13BrO3/c1-18-15(17)12-4-8-14(9-5-12)19-10-11-2-6-13(16)7-3-11/h2-9H,10H2,1H3
- InChI Key： NUVMTNRDLRFDFM-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)COC1C=CC(C(=O)OC)=CC=1
Computed Properties
- Exact Mass: 320.00479
- Monoisotopic Mass: 320.00481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 279
- 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: 4.4
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Benzoic acid, 4-[(4-bromophenyl)methoxy]-, methyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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