Cas no 50372-72-0 (Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(2,5-dimethoxyphenyl)-)
50372-72-0 structure
Product Name:Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(2,5-dimethoxyphenyl)-
CAS No:50372-72-0
MF:C13H11Br2NO3
MW:389.039342164993
CID:365042
PubChem ID:21488740
Update Time:2025-04-19
Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(2,5-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(2,5-dimethoxyphenyl)-
- (4,5-dibromo-1H-pyrrol-2-yl)-(2,5-dimethoxyphenyl)methanone
- 50372-72-0
- (4,5-Dibromo-1H-pyrrol-2-yl)(2,5-dimethoxyphenyl)methanone
- SCHEMBL11861535
- DTXSID80614700
-
- Inchi： 1S/C13H11Br2NO3/c1-18-7-3-4-11(19-2)8(5-7)12(17)10-6-9(14)13(15)16-10/h3-6,16H,1-2H3
- InChI Key： JXJYUJCMQDNSMO-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(C2C=C(C=CC=2OC)OC)=O)N1)Br
Computed Properties
- Exact Mass: 386.91053
- Monoisotopic Mass: 386.91057g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 329
- 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: 51.3?2
Experimental Properties
- PSA: 51.32
Methanone, (4,5-dibromo-1H-pyrrol-2-yl)(2,5-dimethoxyphenyl)- Related Literature
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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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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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