Cas no 94009-29-7 (Dimethyl 4-bromo-1H-pyrazole-3,5-dicarboxylate)
94009-29-7 structure
Product Name:Dimethyl 4-bromo-1H-pyrazole-3,5-dicarboxylate
CAS No:94009-29-7
MF:C7H7BrN2O4
MW:263.045480966568
CID:2817545
PubChem ID:13349337
Update Time:2025-04-21
Dimethyl 4-bromo-1H-pyrazole-3,5-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- DTXSID30537834
- 3,5-DIMETHYL 4-BROMO-1H-PYRAZOLE-3,5-DICARBOXYLATE
- Dimethyl 4-bromo-1H-pyrazole-3,5-dicarboxylate
- F94832
- 94009-29-7
-
- Inchi： 1S/C7H7BrN2O4/c1-13-6(11)4-3(8)5(10-9-4)7(12)14-2/h1-2H3,(H,9,10)
- InChI Key： LAFOZUVPZKZCTF-UHFFFAOYSA-N
- SMILES： BrC1C(C(=O)OC)=NNC=1C(=O)OC
Computed Properties
- Exact Mass: 261.95892Da
- Monoisotopic Mass: 261.95892Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 81.3?2
Dimethyl 4-bromo-1H-pyrazole-3,5-dicarboxylate Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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