Cas no 1188285-05-3 (5-Amino-1-(2,6-difluorophenyl)-1H-pyrazole-4-carbonitrile)
1188285-05-3 structure
Product Name:5-Amino-1-(2,6-difluorophenyl)-1H-pyrazole-4-carbonitrile
CAS No:1188285-05-3
MF:C10H6F2N4
MW:220.178247928619
CID:2124695
Update Time:2023-08-04
5-Amino-1-(2,6-difluorophenyl)-1H-pyrazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-amino-1-(2,6-difluorophenyl)-1H-pyrazole-4-carbonitrile
- XBBQLCCTQJHMIC-UHFFFAOYSA-N
- 5-Amino-1-(2,6-difluorophenyl)-1H-pyrazole-4-carbonitrile
-
- Inchi： 1S/C10H6F2N4/c11-7-2-1-3-8(12)9(7)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2
- InChI Key： XBBQLCCTQJHMIC-UHFFFAOYSA-N
- SMILES： FC1C=CC=C(C=1N1C(=C(C#N)C=N1)N)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 292
- Topological Polar Surface Area: 67.6
5-Amino-1-(2,6-difluorophenyl)-1H-pyrazole-4-carbonitrile Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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