Cas no 65644-24-8 (5-Pyrimidinecarboxaldehyde, 6-chloro-1,2,3,4-tetrahydro-2,4-dioxo-)
65644-24-8 structure
Product Name:5-Pyrimidinecarboxaldehyde, 6-chloro-1,2,3,4-tetrahydro-2,4-dioxo-
CAS No:65644-24-8
MF:C5H3ClN2O3
MW:174.541919946671
CID:397762
PubChem ID:13298165
Update Time:2025-04-19
5-Pyrimidinecarboxaldehyde, 6-chloro-1,2,3,4-tetrahydro-2,4-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxaldehyde, 6-chloro-1,2,3,4-tetrahydro-2,4-dioxo-
- 6-chloro-2,4-dioxo-1H-pyrimidine-5-carbaldehyde
- DTXSID10535535
- 65644-24-8
- CS-0435433
- SCHEMBL475093
- 6-Chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
- 6-chloro-5-formyluracil
-
- Inchi： 1S/C5H3ClN2O3/c6-3-2(1-9)4(10)8-5(11)7-3/h1H,(H2,7,8,10,11)
- InChI Key： LKFGZQGHQPAHMU-UHFFFAOYSA-N
- SMILES： ClC1=C(C=O)C(NC(N1)=O)=O
Computed Properties
- Exact Mass: 173.98329
- Monoisotopic Mass: 173.9832197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 271
- 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: -0.5
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- PSA: 75.27
5-Pyrimidinecarboxaldehyde, 6-chloro-1,2,3,4-tetrahydro-2,4-dioxo- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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