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CAS Number: 1105039-88-0
1H-pyrazole

Structure

1H-pyrazole
Name: 1H-pyrazole
Synonyms:
General Information
Product Number: 1105039880

CAS Registry Number 1105039-88-0
Name:
1H-​Pyrazole, 1-​[(4-​methoxyphenyl)​methyl]​-​4-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-
1-(4-Methoxybenzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

 

Chemical Formula: C3H4N2
Exact Mass: 68.04
Molecular Weight: 68.08
m/z: 68.04 (100.0%), 69.04 (3.3%)

 

InChI:InChI=1S/C17H23BN2O3/c1-16(2)17(3,4)23-18(22-16)14-10-19-20(12-14)11-13-6-8-15(21-5)9-7-13/h6-10,12H,11H2,1-5H3

InChI Key:RUSNSMNLZWNVHT-UHFFFAOYSA-N

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=C(C=C3)OC

Specification

98%

References

PCT Int. Appl. (2014), WO 2014139326 A1 20140918.

PCT Int. Appl. (2014), WO 2014074422 A1 20140515.

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