Cas no 1008780-47-9 (2-Chloro-4,6-Pyrimidinedicarboxylic acid)
1008780-47-9 structure
Product Name:2-Chloro-4,6-Pyrimidinedicarboxylic acid
CAS No:1008780-47-9
MF:C6H3ClN2O4
MW:202.552020311356
CID:2134140
Update Time:2023-08-04
2-Chloro-4,6-Pyrimidinedicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-4,6-Pyrimidinedicarboxylic acid
- 2-Chloro-4,6-Pyrimidinedicarboxylic acid
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- Inchi： 1S/C6H3ClN2O4/c7-6-8-2(4(10)11)1-3(9-6)5(12)13/h1H,(H,10,11)(H,12,13)
- InChI Key： LTDKJKWSQKAIFQ-UHFFFAOYSA-N
- SMILES： ClC1=NC(C(=O)O)=CC(C(=O)O)=N1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 213
- Topological Polar Surface Area: 100
2-Chloro-4,6-Pyrimidinedicarboxylic acid Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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