CAS
929074-46-4 Purity
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929074-46-4 Purity
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1-Isobutyl-1H-pyrazole-4-boronic acid
CAS
929094-25-7
Catalog Number
ACM929094257
Category
Other Products
Molecular Weight
168.00132
Molecular Formula
C7H13BN2O2
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Specification
Synonyms
1-Isobutyl-1H-pyrazole-4-boronic acid
What is the molecular formula of 1-Isobutyl-1H-pyrazole-4-boronic acid?
The molecular formula is C7H13BN2O2.
What is the molecular weight of 1-Isobutyl-1H-pyrazole-4-boronic acid?
The molecular weight is 168.00 g/mol.
What is the IUPAC name of 1-Isobutyl-1H-pyrazole-4-boronic acid?
The IUPAC name is [1-(2-methylpropyl)pyrazol-4-yl]boronic acid.
What is the InChI of 1-Isobutyl-1H-pyrazole-4-boronic acid?
The InChI is InChI=1S/C7H13BN2O2/c1-6(2)4-10-5-7(3-9-10)8(11)12/h3,5-6,11-12H,4H2,1-2H3.
What is the InChIKey of 1-Isobutyl-1H-pyrazole-4-boronic acid?
The InChIKey is ZNPDFJXJVSSPFF-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Isobutyl-1H-pyrazole-4-boronic acid?
The canonical SMILES is B(C1=CN(N=C1)CC(C)C)(O)O.
What is the CAS number of 1-Isobutyl-1H-pyrazole-4-boronic acid?
The CAS number is 929094-25-7.
What is the DSSTox Substance ID of 1-Isobutyl-1H-pyrazole-4-boronic acid?
The DSSTox Substance ID is DTXSID50669782.
Is 1-Isobutyl-1H-pyrazole-4-boronic acid a canonicalized compound?
Yes, it is a canonicalized compound.
Downstream Synthesis Route 1
- 1048038-97-6
- 929094-25-7
- 1239604-28-4
Reference: [1]Journal of Medicinal Chemistry,2010,vol. 53,p. 5915 - 5928
Downstream Synthesis Route 2
- 714962-04-6
- 929094-25-7
- 1160703-71-8
Reference: [1]Journal of Medicinal Chemistry,2010,vol. 53,p. 6934 - 6946
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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