Cas no 2259315-64-3 (5-bromopyrimidine-2-carbonitrile-4,6-d2)
2259315-64-3 structure
Product Name:5-bromopyrimidine-2-carbonitrile-4,6-d2
CAS No:2259315-64-3
MF:C5H2BrN3
MW:186.005802631378
CID:6820835
PubChem ID:172402436
Update Time:2025-03-01
5-bromopyrimidine-2-carbonitrile-4,6-d2 Chemical and Physical Properties
Names and Identifiers
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- 2259315-64-3
- 5-bromopyrimidine-2-carbonitrile-4,6-d2
- CS-22064
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- Inchi： 1S/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H/i2D,3D
- InChI Key： VPQICCOHFSGBMA-PBNXXWCMSA-N
- SMILES： BrC1=C([2H])N=C(C#N)N=C1[2H]
Computed Properties
- Exact Mass: 184.95576Da
- Monoisotopic Mass: 184.95576Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 130
- 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: 0.9
- Topological Polar Surface Area: 49.6?2
5-bromopyrimidine-2-carbonitrile-4,6-d2 Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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