CAS
91759-61-4 Purity
96%
91759-61-4 Purity
96%
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2-(2-Amino-5-(trifluoromethyl)phenyl)-2H-isoindole-1-carbonitrile
CAS
917607-76-2
Catalog Number
ACM917607762
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C16H10F3N3.
What is the molecular weight of the compound?
The molecular weight of the compound is 301.27 g/mol.
When was the compound created and last modified?
The compound was created on 2015-02-16 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[2-amino-5-(trifluoromethyl)phenyl]isoindole-1-carbonitrile.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H10F3N3/c17-16(18,19)11-5-6-13(21)14(7-11)22-9-10-3-1-2-4-12(10)15(22)8-20/h1-7,9H,21H2.
What is the InChIKey of the compound?
The InChIKey of the compound is LWHWASSAAAFDBJ-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C1=CC2=CN(C(=C2C=C1)C#N)C3=C(C=CC(=C3)C(F)(F)F)N.
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 of the compound is 54.7Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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