CAS
914349-66-9 Purity
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914349-66-9 Purity
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5-(4-Fluorophenyl)pyridine-2-carbonitrile
CAS
914349-75-0
Catalog Number
ACM914349750
Category
Other Products
Molecular Weight
198.2
Molecular Formula
C12H7FN2
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Specification
Synonyms
5-(4-FLUOROPHENYL)PYRIDINE-2-CARBONITRILE
IUPAC Name
5-(4-fluorophenyl)pyridine-2-carbonitrile
Canonical SMILES
C1=CC(=CC=C1C2=CN=C(C=C2)C#N)F
InChI Key
KALUPEPKKYIXDT-UHFFFAOYSA-N
Boiling Point
359.5ºC at 760 mmHg
Flash Point
171.2ºC
Density
1.25g/cm³
Exact Mass
198.05900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 45036905?
The molecular formula is C12H7FN2.
When was the compound first created according to PubChem data?
The compound was first created on March 29, 2010.
What is the IUPAC name of the compound?
The IUPAC name is 5-(4-fluorophenyl)pyridine-2-carbonitrile.
What is the molecular weight of the compound?
The molecular weight is 198.20 g/mol.
What is the InChIKey of the compound?
The InChIKey is KALUPEPKKYIXDT-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 36.7 Ų.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
How many rotatable bonds does the compound have?
The compound has 1 rotatable bond.
Is the compound canonicalized according to PubChem data?
Yes, the compound is canonicalized according to PubChem.
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