CAS
91506-05-7 Purity
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91506-05-7 Purity
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4-(1-Cyanocyclopentylamino)-2-fluorobenzonitrile
CAS
915087-30-8
Catalog Number
ACM915087308
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C13H12FN3.
What is the molecular weight of the compound?
The molecular weight of the compound is 229.25 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-[(1-cyanocyclopentyl)amino]-2-fluorobenzonitrile.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H12FN3/c14-12-7-11(4-3-10(12)8-15)17-13(9-16)5-1-2-6-13/h3-4,7,17H,1-2,5-6H2.
What is the InChIKey of the compound?
The InChIKey of the compound is ILYFYXGXKGIWTE-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CCC(C1)(C#N)NC2=CC(=C(C=C2)C#N)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.6.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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