Cas no 947534-34-1 ( )
structure
Product Name:
CAS No:947534-34-1
MF:C8H8BrN3
MW:226.073220252991
CID:873458
PubChem ID:45158688
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-2-(2,5-dihydro-pyrrol-1-yl)-pyrimidine
- 5-bromo-2-(2,5-dihydropyrrol-1-yl)pyrimidine
- 947534-34-1
- DTXSID30669649
- 5-Bromo-2-(2,5-dihydro-1H-pyrrol-1-yl)pyrimidine
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- Inchi： 1S/C8H8BrN3/c9-7-5-10-8(11-6-7)12-3-1-2-4-12/h1-2,5-6H,3-4H2
- InChI Key： FWJXMEZVRWPAHI-UHFFFAOYSA-N
- SMILES： BrC1C=NC(=NC=1)N1CC=CC1
Computed Properties
- Exact Mass: 224.99000
- Monoisotopic Mass: 224.99016g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 1.6
- Topological Polar Surface Area: 29?2
Experimental Properties
- PSA: 29.02000
- LogP: 1.68030
Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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