Cas no 2697162-60-8 (4-bromo-2-methylpyrimidine-5,6-d2)
2697162-60-8 structure
Product Name:4-bromo-2-methylpyrimidine-5,6-d2
CAS No:2697162-60-8
MF:C5H5BrN2
MW:175.022923231125
CID:6826527
PubChem ID:172406682
Update Time:2025-02-26
4-bromo-2-methylpyrimidine-5,6-d2 Chemical and Physical Properties
Names and Identifiers
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- CS-24694
- 2697162-60-8
- 4-bromo-2-methylpyrimidine-5,6-d2
-
- Inchi： 1S/C5H5BrN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3/i2D,3D
- InChI Key： OJPQVYZLQGRFSO-PBNXXWCMSA-N
- SMILES： BrC1=C([2H])C([2H])=NC(C)=N1
Computed Properties
- Exact Mass: 173.97616Da
- Monoisotopic Mass: 173.97616Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 76.8
- 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: 25.8?2
4-bromo-2-methylpyrimidine-5,6-d2 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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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