Cas no 1240598-34-8 (2,4-Pyrimidinedicarboxylic acid, 5-bromo-)
1240598-34-8 structure
Product Name:2,4-Pyrimidinedicarboxylic acid, 5-bromo-
CAS No:1240598-34-8
MF:C6H3BrN2O4
MW:247.003020524979
CID:2124873
Update Time:2023-11-19
2,4-Pyrimidinedicarboxylic acid, 5-bromo- Chemical and Physical Properties
Names and Identifiers
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- 5-bromopyrimidine-2,4-dicarboxylic acid
- CID 119098459
- 2,4-Pyrimidinedicarboxylic acid, 5-bromo-
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- Inchi： 1S/C6H3BrN2O4/c7-2-1-8-4(6(12)13)9-3(2)5(10)11/h1H,(H,10,11)(H,12,13)
- InChI Key： JRMSTFBDURMUOX-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C(=O)O)N=C1C(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 235
- Topological Polar Surface Area: 100
Experimental Properties
- Density: 2.108±0.06 g/cm3(Predicted)
- Boiling Point: 567.0±60.0 °C(Predicted)
- pka: 1.09±0.10(Predicted)
2,4-Pyrimidinedicarboxylic acid, 5-bromo- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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