Cas no 50372-69-5 (Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(4-methoxyphenyl)-)
50372-69-5 structure
Product Name:Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(4-methoxyphenyl)-
CAS No:50372-69-5
MF:C12H9Br2NO2
MW:359.013361692429
CID:365045
PubChem ID:21488739
Update Time:2025-04-19
Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(4-methoxyphenyl)-
- (4,5-dibromo-1H-pyrrol-2-yl)-(4-methoxyphenyl)methanone
- (4,5-Dibromo-1H-pyrrol-2-yl)(4-methoxyphenyl)methanone
- SCHEMBL11867579
- 50372-69-5
- DTXSID30614699
-
- Inchi： 1S/C12H9Br2NO2/c1-17-8-4-2-7(3-5-8)11(16)10-6-9(13)12(14)15-10/h2-6,15H,1H3
- InChI Key： QOVASTBCQYWECP-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(C2C=CC(=CC=2)OC)=O)N1)Br
Computed Properties
- Exact Mass: 356.89997
- Monoisotopic Mass: 356.90000g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 4.1
- Topological Polar Surface Area: 42.1?2
Experimental Properties
- PSA: 42.09
Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(4-methoxyphenyl)- Related Literature
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
50372-69-5 (Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(4-methoxyphenyl)-) Related Products
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- 58283-32-2(2-(4-Methoxybenzoyl)-6-methylpyridine)
- 675139-22-7(Methanone, 3-indolizinyl(3-methoxyphenyl)-)
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