Cas no 1185316-94-2 (4-Chloro-5-fluoro-2-(methyl-d3)-pyrimidine)
1185316-94-2 structure
Product Name:4-Chloro-5-fluoro-2-(methyl-d3)-pyrimidine
CAS No:1185316-94-2
MF:C5H4ClFN2
MW:149.568548202515
CID:6810833
PubChem ID:45788592
Update Time:2025-03-28
4-Chloro-5-fluoro-2-(methyl-d3)-pyrimidine Chemical and Physical Properties
Names and Identifiers
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- CS-18879
- 4-Chloro-5-fluoro-2-(methyl-d3)-pyrimidine
- AKOS015944554
- 1185316-94-2
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- Inchi： 1S/C5H4ClFN2/c1-3-8-2-4(7)5(6)9-3/h2H,1H3/i1D3
- InChI Key： QSFGQHQXDKLATK-FIBGUPNXSA-N
- SMILES： ClC1=C(C=NC(C([2H])([2H])[2H])=N1)F
Computed Properties
- Exact Mass: 149.0235342Da
- Monoisotopic Mass: 149.0235342Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 101
- 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: 1.7
- Topological Polar Surface Area: 25.8?2
4-Chloro-5-fluoro-2-(methyl-d3)-pyrimidine Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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