Cas no 93233-20-6 (1H-Pyrazole, 4-bromo-3-chloro-5-phenyl-)
93233-20-6 structure
Product Name:1H-Pyrazole, 4-bromo-3-chloro-5-phenyl-
CAS No:93233-20-6
MF:C9H6BrClN2
MW:257.514339923859
CID:4336130
PubChem ID:21680104
Update Time:2025-04-24
1H-Pyrazole, 4-bromo-3-chloro-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 4-bromo-3-chloro-5-phenyl-
- 93233-20-6
- 4-Bromo-3-chloro-5-phenyl-1H-pyrazole
- DTXSID201288439
-
- Inchi： 1S/C9H6BrClN2/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,(H,12,13)
- InChI Key： NJGKVMMLPPEZIQ-UHFFFAOYSA-N
- SMILES： N1C(C2=CC=CC=C2)=C(Br)C(Cl)=N1
Computed Properties
- Exact Mass: 255.94029Da
- Monoisotopic Mass: 255.94029Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 173
- 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: 3.5
- Topological Polar Surface Area: 28.7?2
1H-Pyrazole, 4-bromo-3-chloro-5-phenyl- Related Literature
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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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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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