Cas no 903558-45-2 (2-Chloro-pyrimidine-4,6-dicarboxylic acid monomethyl ester)
903558-45-2 structure
Product Name:2-Chloro-pyrimidine-4,6-dicarboxylic acid monomethyl ester
CAS No:903558-45-2
MF:C7H5ClN2O4
MW:216.578600645065
CID:2122102
Update Time:2023-08-03
2-Chloro-pyrimidine-4,6-dicarboxylic acid monomethyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-pyrimidine-4,6-dicarboxylic acid monomethyl ester
- FVLQNACVUROOSJ-UHFFFAOYSA-N
- 4,6-Pyrimidinedicarboxylic acid, 2-chloro-, 4-methyl ester
- 2-Chloro-pyrimidine-4,6-dicarboxylic acid monomethyl ester
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- Inchi： 1S/C7H5ClN2O4/c1-14-6(13)4-2-3(5(11)12)9-7(8)10-4/h2H,1H3,(H,11,12)
- InChI Key： FVLQNACVUROOSJ-UHFFFAOYSA-N
- SMILES： ClC1=NC(C(=O)O)=CC(C(=O)OC)=N1
Computed Properties
- Exact Mass: 215.994
- Monoisotopic Mass: 215.994
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 248
- 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
- Topological Polar Surface Area: 89.4
2-Chloro-pyrimidine-4,6-dicarboxylic acid monomethyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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