Cas no 61531-31-5 (2,4(1H,3H)-Pyrimidinedione, 3-(2,3-dibromopropyl)-6-(trifluoromethyl)-)
61531-31-5 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 3-(2,3-dibromopropyl)-6-(trifluoromethyl)-
CAS No:61531-31-5
MF:C8H7Br2F3N2O2
MW:379.956590890884
CID:476053
PubChem ID:21510798
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 3-(2,3-dibromopropyl)-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, 3-(2,3-dibromopropyl)-6-(trifluoromethyl)-
- 3-(2,3-dibromopropyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
- DTXSID30615363
- SCHEMBL11784441
- 3-(2,3-Dibromopropyl)-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
- 61531-31-5
-
- Inchi： 1S/C8H7Br2F3N2O2/c9-2-4(10)3-15-6(16)1-5(8(11,12)13)14-7(15)17/h1,4H,2-3H2,(H,14,17)
- InChI Key： GGJRFJZMFQVPMP-UHFFFAOYSA-N
- SMILES： BrC(CBr)CN1C(C=C(C(F)(F)F)NC1=O)=O
Computed Properties
- Exact Mass: 377.88261
- Monoisotopic Mass: 377.88264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 49.4?2
Experimental Properties
- PSA: 49.41
2,4(1H,3H)-Pyrimidinedione, 3-(2,3-dibromopropyl)-6-(trifluoromethyl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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