Cas no 2363789-64-2 (methyl 5-bromopyrimidine-2-carboxylate-4,6-d2)
2363789-64-2 structure
Product Name:methyl 5-bromopyrimidine-2-carboxylate-4,6-d2
CAS No:2363789-64-2
MF:C6H5BrN2O2
MW:219.032423734665
CID:6824791
PubChem ID:172402994
Update Time:2025-04-03
methyl 5-bromopyrimidine-2-carboxylate-4,6-d2 Chemical and Physical Properties
Names and Identifiers
-
- CS-22876
- 2363789-64-2
- methyl 5-bromopyrimidine-2-carboxylate-4,6-d2
-
- Inchi： 1S/C6H5BrN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3/i2D,3D
- InChI Key： XILAKTMDKMVJQV-PBNXXWCMSA-N
- SMILES： BrC1C([2H])=NC(C(=O)OC)=NC=1[2H]
Computed Properties
- Exact Mass: 217.96599Da
- Monoisotopic Mass: 217.96599Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 146
- 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: 0
- Topological Polar Surface Area: 52.1?2
methyl 5-bromopyrimidine-2-carboxylate-4,6-d2 Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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