Cas no 1627504-57-7 (4-Chloro-6-oxo-1H-pyrimidine-5-carbaldehyde)
1627504-57-7 structure
Product Name:4-Chloro-6-oxo-1H-pyrimidine-5-carbaldehyde
CAS No:1627504-57-7
MF:C5H3ClN2O2
MW:158.542519807816
CID:4743145
Update Time:2023-08-16
4-Chloro-6-oxo-1H-pyrimidine-5-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 6-Chloro-4-oxo-1,4-dihydropyrimidine-5-carbaldehyde
- 4-Chloro-6-oxo-1H-pyrimidine-5-carbaldehyde
-
- Inchi： 1S/C5H3ClN2O2/c6-4-3(1-9)5(10)8-2-7-4/h1-2H,(H,7,8,10)
- InChI Key： MGGKMMSGRBFGKF-UHFFFAOYSA-N
- SMILES： ClC1=C(C=O)C(NC=N1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 244
- Topological Polar Surface Area: 58.5
4-Chloro-6-oxo-1H-pyrimidine-5-carbaldehyde Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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