CAS
96017-23-1 Purity
96%
96017-23-1 Purity
96%
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2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester
CAS
960198-50-9
Catalog Number
ACM960198509
Category
Other Products
Molecular Formula
C12H9FN2O2
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Specification
Synonyms
2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester
What is the molecular formula of 2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester?
The molecular formula is C12H9FN2O2.
What is the molecular weight of 2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester?
The molecular weight is 232.21 g/mol.
What is the IUPAC name of 2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester?
The IUPAC name is methyl 2-(4-fluorophenyl)pyrimidine-5-carboxylate.
What is the InChI of 2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester?
The InChI is InChI=1S/C12H9FN2O2/c1-17-12(16)9-6-14-11(15-7-9)8-2-4-10(13)5-3-8/h2-7H,1H3.
What is the InChIKey of 2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester?
The InChIKey is QWOCFKNPWTZDTH-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester?
The Canonical SMILES is COC(=O)C1=CN=C(N=C1)C2=CC=C(C=C2)F.
What is the XLogP3-AA value of 2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester?
The XLogP3-AA value is 1.8.
How many hydrogen bond donor counts are there in 2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester?
There are 0 hydrogen bond donor counts.
How many rotatable bond counts are there in 2-(4-Fluorophenyl)pyrimidine-5-carboxylic acid methyl ester?
There are 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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