CAS
94386-63-7 Purity
96%
94386-63-7 Purity
96%
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Phenol,2-[(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)oxy]-5-methyl-
CAS
943868-86-8
Catalog Number
ACM943868868
Category
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What is the molecular formula of the compound with PubChem CID 23728753?
The molecular formula is C12H13N3O4.
When was the compound created in PubChem?
The compound was created on February 19, 2008.
What is the molecular weight of the compound?
The molecular weight is 263.25 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-(2,5-dimethyl-4-nitropyrazol-3-yl)oxy-5-methylphenol.
What is the InChIKey of the compound?
The InChIKey is MZYKMFWALGFMAM-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
CC1=CC(=C(C=C1)OC2=C(C(=NN2C)C)[N+](=O)[O-])O.
What is the XLogP3-AA value for the compound?
The XLogP3-AA value is 2.3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 93.1Å2.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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94386-65-9 Purity
96%
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96%
![ACETAMIDE,N-[5-(AMINOMETHYL)-2-FLUOROPHENYL]-](https://resource.alfa-chemistry.com/structure/943894-80-2.gif)
