Cas no 2891511-34-3 (4-bromo-2-(fluoromethyl-d2)pyrimidine-5,6-d2)
2891511-34-3 structure
Product Name:4-bromo-2-(fluoromethyl-d2)pyrimidine-5,6-d2
CAS No:2891511-34-3
MF:C5H4BrFN2
MW:195.025710105896
CID:6827357
PubChem ID:172405157
Update Time:2025-02-15
4-bromo-2-(fluoromethyl-d2)pyrimidine-5,6-d2 Chemical and Physical Properties
Names and Identifiers
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- 2891511-34-3
- CS-25630
- 4-bromo-2-(fluoromethyl-d2)pyrimidine-5,6-d2
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- Inchi： 1S/C5H4BrFN2/c6-4-1-2-8-5(3-7)9-4/h1-2H,3H2/i1D,2D,3D2
- InChI Key： XCDGETIJQORXAR-QZDQLYPWSA-N
- SMILES： BrC1=C([2H])C([2H])=NC(C([2H])([2H])F)=N1
Computed Properties
- Exact Mass: 193.97930Da
- Monoisotopic Mass: 193.97930Da
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 91
- 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: 1.4
- Topological Polar Surface Area: 25.8?2
4-bromo-2-(fluoromethyl-d2)pyrimidine-5,6-d2 Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
2891511-34-3 (4-bromo-2-(fluoromethyl-d2)pyrimidine-5,6-d2) Related Products
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