Cas no 183232-62-4 (1H-Pyrazole-3-carboxylicacid, 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester)
183232-62-4 structure
Product Name:1H-Pyrazole-3-carboxylicacid, 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester
CAS No:183232-62-4
MF:C17H11Cl3N2O2
MW:381.640441179276
CID:114020
Update Time:2022-09-22
1H-Pyrazole-3-carboxylicacid, 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-3-carboxylicacid, 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester
- 1-(2,4-dichlorophenyl)-5-(4-bromophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
- 1-(2,4-Dichlorophenyl)-4-methyl-5-(4-bromophenyl)-1H-pyrazole-3-carboxylicacid ethyl ester
- 5-(4-Bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxylic acidethyl ester
- Ethyl5-(4-Bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate
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- Inchi： 1S/C17H11Cl3N2O2/c1-9-15(17(23)24)21-22(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,23,24)
- InChI Key： CYAYCOCJAVHQSD-UHFFFAOYSA-N
- SMILES： N1(C2=CC=C(Cl)C=C2Cl)C(C2=CC=C(Cl)C=C2)=C(C)C(C(O)=O)=N1
Computed Properties
- Exact Mass: 379.989
- Monoisotopic Mass: 379.989
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 459
- 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
- Topological Polar Surface Area: 55.1A^2
Experimental Properties
- Color/Form: White powder
- Density: 1.48
- Boiling Point: 551.2°Cat760mmHg
- Flash Point: 287.2°C
- Refractive Index: 1.663
- PSA: 55.12000
- LogP: 5.50610
1H-Pyrazole-3-carboxylicacid, 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester Security Information
- Storage Condition：Store…In original container,Keep in the shade\A dark place.
1H-Pyrazole-3-carboxylicacid, 5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methyl-, ethyl ester Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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