Cas no 852816-28-5 (1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-1-methyl-)
852816-28-5 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-1-methyl-
CAS No:852816-28-5
MF:C11H9BrN2O2
MW:281.105361700058
CID:1836063
PubChem ID:18613415
Update Time:2025-04-21
1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-1-methyl-
- 5-(3-bromophenyl)-1-methyl-1H-Pyrazole-3-carboxylic acid
- DA-38715
- SCHEMBL2203114
- 852816-28-5
-
- Inchi： 1S/C11H9BrN2O2/c1-14-10(6-9(13-14)11(15)16)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,15,16)
- InChI Key： DOVUGCDILYTFRT-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C1=CC(C(=O)O)=NN1C
Computed Properties
- Exact Mass: 279.98474g/mol
- Monoisotopic Mass: 279.98474g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 275
- 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: 2.4
- Topological Polar Surface Area: 55.1?2
1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-1-methyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
852816-28-5 (1H-Pyrazole-3-carboxylic acid, 5-(3-bromophenyl)-1-methyl-) Related Products
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