Cas no 176240-84-9 (Methyl 4-(benzyloxy)-3-bromobenzoate)
176240-84-9 structure
Product Name:Methyl 4-(benzyloxy)-3-bromobenzoate
CAS No:176240-84-9
MF:C15H13BrO3
MW:321.165923833847
CID:2126745
Update Time:2023-08-04
Methyl 4-(benzyloxy)-3-bromobenzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-(benzyloxy)-3-bromobenzoate
- methyl 3-bromo-4-phenylmethoxybenzoate
- BEN422
- PYDCHQSFLBMHLD-UHFFFAOYSA-N
- methyl 4-benzyloxy-3-bromobenzoate
- Benzoic acid, 3-bromo-4-(phenylmethoxy)-, methyl ester
- Methyl 4-(benzyloxy)-3-bromobenzoate
-
- Inchi： 1S/C15H13BrO3/c1-18-15(17)12-7-8-14(13(16)9-12)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
- InChI Key： PYDCHQSFLBMHLD-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)OC)C=CC=1OCC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 289
- Topological Polar Surface Area: 35.5
Methyl 4-(benzyloxy)-3-bromobenzoate Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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