Cas no 96723-20-5 (1H-Pyrazole-3,4-dicarboxylicacid, 1-(2-chlorophenyl)-5-phenyl-)
96723-20-5 structure
Product Name:1H-Pyrazole-3,4-dicarboxylicacid, 1-(2-chlorophenyl)-5-phenyl-
CAS No:96723-20-5
MF:C17H11ClN2O4
MW:342.733243227005
CID:816134
PubChem ID:178905
Update Time:2025-04-19
1H-Pyrazole-3,4-dicarboxylicacid, 1-(2-chlorophenyl)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3,4-dicarboxylicacid, 1-(2-chlorophenyl)-5-phenyl-
- 1-(2-chlorophenyl)-5-phenylpyrazole-3,4-dicarboxylic acid
- DTXSID80242461
- 96723-20-5
- 1h-pyrazole-3,4-dicarboxylic Acid, 1-(2-chlorophenyl)-5-phenyl-
-
- Inchi： 1S/C17H11ClN2O4/c18-11-8-4-5-9-12(11)20-15(10-6-2-1-3-7-10)13(16(21)22)14(19-20)17(23)24/h1-9H,(H,21,22)(H,23,24)
- InChI Key： AWKUDQQWPCJZDN-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1N1C(C2C=CC=CC=2)=C(C(=O)O)C(C(=O)O)=N1
Computed Properties
- Exact Mass: 342.041
- Monoisotopic Mass: 342.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 483
- 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: 3.6
- Topological Polar Surface Area: 92.4?2
Experimental Properties
- Density: 1.46
- Boiling Point: 567.8°Cat760mmHg
- Flash Point: 297.2°C
- Refractive Index: 1.675
1H-Pyrazole-3,4-dicarboxylicacid, 1-(2-chlorophenyl)-5-phenyl- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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