Cas no 2363780-24-7 (1-(4-bromopyrimidin-2-yl-5,6-d2)ethan-1-one)
2363780-24-7 structure
Product Name:1-(4-bromopyrimidin-2-yl-5,6-d2)ethan-1-one
CAS No:2363780-24-7
MF:C6H5BrN2O
MW:203.03302359581
CID:6824564
PubChem ID:172402793
Update Time:2025-03-01
1-(4-bromopyrimidin-2-yl-5,6-d2)ethan-1-one Chemical and Physical Properties
Names and Identifiers
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- 2363780-24-7
- 1-(4-bromopyrimidin-2-yl-5,6-d2)ethan-1-one
- CS-22649
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- Inchi： 1S/C6H5BrN2O/c1-4(10)6-8-3-2-5(7)9-6/h2-3H,1H3/i2D,3D
- InChI Key： YIXZCLFHFDRVPG-PBNXXWCMSA-N
- SMILES： BrC1=C([2H])C([2H])=NC(C(C)=O)=N1
Computed Properties
- Exact Mass: 201.97108Da
- Monoisotopic Mass: 201.97108Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 1.2
- Topological Polar Surface Area: 42.9?2
1-(4-bromopyrimidin-2-yl-5,6-d2)ethan-1-one Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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