Cas no 62160-85-4 (1H-Pyrazole-3-carboxylic acid, 1-(4-bromophenyl)-5-phenyl-)
62160-85-4 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 1-(4-bromophenyl)-5-phenyl-
CAS No:62160-85-4
MF:C16H11BrN2O2
MW:343.174742937088
CID:455910
PubChem ID:12320464
Update Time:2025-04-19
1H-Pyrazole-3-carboxylic acid, 1-(4-bromophenyl)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-3-carboxylic acid, 1-(4-bromophenyl)-5-phenyl-
- 1-(4-bromophenyl)-5-phenylpyrazole-3-carboxylic acid
- 1-(4-Bromophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
- DTXSID40488429
- AKOS009151463
- 62160-85-4
-
- Inchi： 1S/C16H11BrN2O2/c17-12-6-8-13(9-7-12)19-15(10-14(18-19)16(20)21)11-4-2-1-3-5-11/h1-10H,(H,20,21)
- InChI Key： OYUVGBSSFDXXPA-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)N1C(=CC(C(=O)O)=N1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 342.00043
- Monoisotopic Mass: 342.00039g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 365
- 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: 4.1
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
1H-Pyrazole-3-carboxylic acid, 1-(4-bromophenyl)-5-phenyl- Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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