Cas no 106898-40-2 (1-(2,4-dichlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile)
106898-40-2 structure
Product Name:1-(2,4-dichlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile
CAS No:106898-40-2
MF:C11H8Cl2N4
MW:267.114019393921
CID:2103330
PubChem ID:13746668
Update Time:2025-04-21
1-(2,4-dichlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 1-(2,4-dichlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile
- DA-20107
- 106898-40-2
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- Inchi： 1S/C11H8Cl2N4/c12-9-2-1-7(10(13)3-9)6-17-11(15)8(4-14)5-16-17/h1-3,5H,6,15H2
- InChI Key： BFPMNHPAFPOCLM-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1CN1C(=C(C#N)C=N1)N)Cl
Computed Properties
- Exact Mass: 266.0126017Da
- Monoisotopic Mass: 266.0126017Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 316
- 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
- Topological Polar Surface Area: 67.6?2
1-(2,4-dichlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
106898-40-2 (1-(2,4-dichlorobenzyl)-5-amino-1H-pyrazole-4-carbonitrile) Related Products
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