CAS
948663 Purity
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948663 Purity
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![[1-[(3,4-Dimethyl-1,2-oxazol-5-yl)amino]-3-methyl-1-oxobutan-2-yl]-diethylazanium;2,4,6-trinitrophenolate](https://resource.alfa-chemistry.com/structure/94868-65-2.gif)
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Ethanone,1-(4-methoxyphenyl)-2,2-bis[(4-nitrophenyl)amino]-
CAS
94872-51-2
Catalog Number
ACM94872512
Category
Other Products
Molecular Formula
C21H18N4O6
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What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(4-methoxyphenyl)-2,2-bis(4-nitroanilino)ethanone.
What is the molecular formula of the compound?
The molecular formula of the compound is C21H18N4O6.
What is the molecular weight of the compound?
The molecular weight of the compound is 422.4 g/mol.
What is the CAS number of the compound?
The CAS number of the compound is 94872-51-2.
What is the InChIKey of the compound?
The InChIKey of the compound is AIGAUWTXIDBLBR-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is COC1=CC=C(C=C1)C(=O)C(NC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)[N+](=O)[O-].
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.8.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 8 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 7 rotatable bond counts.
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