CAS
960198-58-7 Purity
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960198-58-7 Purity
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2-(3-Fluoro-phenyl)-pyrimidine-5-carbonitrile
CAS
960198-61-2
Catalog Number
ACM960198612
Category
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Specification
Synonyms
2-(3-Fluoro-phenyl)-pyrimidine-5-carbonitrile
What is the molecular formula of 2-(3-Fluoro-phenyl)-pyrimidine-5-carbonitrile?
The molecular formula is C11H6FN3.
When was the compound created and last modified?
It was created on March 29, 2010, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 2-(3-fluorophenyl)pyrimidine-5-carbonitrile.
What is the molecular weight of the compound?
The molecular weight is 199.18 g/mol.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC(=CC(=C1)F)C2=NC=C(C=N2)C#N.
How many hydrogen bond acceptors are present in the compound?
There are 4 hydrogen bond acceptors.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.7.
What is the topological polar surface area of the compound?
The topological polar surface area is 49.6 ˚^2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is ZXSZUCRVSWGKCX-UHFFFAOYSA-N.
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