CAS
94292-02-1 Purity
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94292-02-1 Purity
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1-(1,1-Dimethylethyl)-3-(4-nitrophenyl)-1H-pyrazole
CAS
942920-34-5
Catalog Number
ACM942920345
Category
Other Products
Molecular Weight
245.2771
Molecular Formula
C13H15N3O2
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Specification
Synonyms
1-(1,1-Dimethylethyl)-3-(4-nitrophenyl)-1H-pyrazole
IUPAC Name
1-tert-butyl-3-(4-nitrophenyl)pyrazole
Canonical SMILES
CC(C)(C)N1C=CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI Key
ZZJWRGJVRULGBO-UHFFFAOYSA-N
Exact Mass
245.11600
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C13H15N3O2.
What are the synonyms of the compound?
The synonyms of the compound are 1-tert-butyl-3-(4-nitrophenyl)-1H-pyrazole, 942920-34-5, and 1-tert-butyl-3-(4-nitrophenyl)pyrazole.
What is the molecular weight of the compound?
The molecular weight of the compound is 245.28 g/mol.
When was the compound created and modified?
The compound was created on November 16, 2011, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-tert-butyl-3-(4-nitrophenyl)pyrazole.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H15N3O2/c1-13(2,3)15-9-8-12(14-15)10-4-6-11(7-5-10)16(17)18/h4-9H,1-3H3.
What is the InChIKey of the compound?
The InChIKey of the compound is ZZJWRGJVRULGBO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)(C)N1C=CC(=N1)C2=CC=C(C=C2)[N+](=O)[O-].
What is the CAS number of the compound?
The CAS number of the compound is 942920-34-5.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.6.
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