Cas no 618099-03-9 (1-(4-Bromophenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde)
618099-03-9 structure
Product Name:1-(4-Bromophenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde
CAS No:618099-03-9
MF:C16H10BrN3O3
MW:372.172902584076
CID:955375
Update Time:2023-08-02
1-(4-Bromophenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties
Names and Identifiers
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- 1-(4-BROMOPHENYL)-3-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
- 1-(4-Bromophenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde
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- Inchi： 1S/C16H10BrN3O3/c17-13-4-6-14(7-5-13)19-9-12(10-21)16(18-19)11-2-1-3-15(8-11)20(22)23/h1-10H
- InChI Key： KWWOFRXJSZPMQM-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)N1C=C(C=O)C(C2C=CC=C(C=2)[N+](=O)[O-])=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 437
- Topological Polar Surface Area: 80.7
1-(4-Bromophenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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