Cas no 647032-15-3 (1H-Pyrazole-4-carboxaldehyde, 3-(4-bromophenyl)-1-(4-nitrophenyl)-)
647032-15-3 structure
Product Name:1H-Pyrazole-4-carboxaldehyde, 3-(4-bromophenyl)-1-(4-nitrophenyl)-
CAS No:647032-15-3
MF:C16H10BrN3O3
MW:372.172902584076
CID:417823
PubChem ID:4089693
Update Time:2025-04-19
1H-Pyrazole-4-carboxaldehyde, 3-(4-bromophenyl)-1-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxaldehyde, 3-(4-bromophenyl)-1-(4-nitrophenyl)-
- 3-(4-bromophenyl)-1-(4-nitrophenyl)pyrazole-4-carbaldehyde
- AKOS024404706
- 3-(4-BROMOPHENYL)-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
- 647032-15-3
- DTXSID60399184
-
- Inchi： 1S/C16H10BrN3O3/c17-13-3-1-11(2-4-13)16-12(10-21)9-19(18-16)14-5-7-15(8-6-14)20(22)23/h1-10H
- InChI Key： SACVZRJLXWGYEN-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1C(C=O)=CN(C2C=CC(=CC=2)[N+](=O)[O-])N=1
Computed Properties
- Exact Mass: 370.9906
- Monoisotopic Mass: 370.99055g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 429
- 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: 80.7?2
Experimental Properties
- PSA: 78.03
1H-Pyrazole-4-carboxaldehyde, 3-(4-bromophenyl)-1-(4-nitrophenyl)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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