Cas no 88952-43-6 (1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(3-methoxyphenyl)-)
88952-43-6 structure
Product Name:1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(3-methoxyphenyl)-
CAS No:88952-43-6
MF:C16H13BrO4
MW:349.176024198532
CID:618598
PubChem ID:13190842
Update Time:2025-04-19
1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(3-methoxyphenyl)-
- 1-(5-bromo-2-hydroxyphenyl)-3-(3-methoxyphenyl)propane-1,3-dione
- DTXSID50526043
- 88952-43-6
-
- Inchi： 1S/C16H13BrO4/c1-21-12-4-2-3-10(7-12)15(19)9-16(20)13-8-11(17)5-6-14(13)18/h2-8,18H,9H2,1H3
- InChI Key： FNOHTNTVMPWAPB-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=1)C(CC(C1C=CC=C(C=1)OC)=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: 4.2
- Topological Polar Surface Area: 63.6?2
1,3-Propanedione, 1-(5-bromo-2-hydroxyphenyl)-3-(3-methoxyphenyl)- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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