Cas no 88952-42-5 (1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-)
88952-42-5 structure
Product Name:1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-
CAS No:88952-42-5
MF:C16H13BrO4
MW:349.176024198532
CID:618599
PubChem ID:13190841
Update Time:2025-04-19
1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-
- 1-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)propane-1,3-dione
- DTXSID90526042
- 88952-42-5
-
- Inchi： 1S/C16H13BrO4/c1-21-16-5-3-2-4-11(16)14(19)9-15(20)12-8-10(17)6-7-13(12)18/h2-8,18H,9H2,1H3
- InChI Key： KJGBUDOVRLASIV-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=1)C(CC(C1C=CC=CC=1OC)=O)=O)O
Computed Properties
- Exact Mass: 347.99972g/mol
- Monoisotopic Mass: 347.99972g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 385
- 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
- Topological Polar Surface Area: 63.6?2
1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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