CAS
914349-53-4 Purity
97+%
914349-53-4 Purity
97+%
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4-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}benzaldehyde
CAS
914349-58-9
Catalog Number
ACM914349589
Category
Other Products
Molecular Weight
392.44
Molecular Formula
C24H22F2N2O
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Specification
Synonyms
4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL)BENZALDEHYDE
IUPAC Name
4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]benzaldehyde
Canonical SMILES
C1CN(CCN1C2=CC=C(C=C2)C=O)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI Key
HSHAONIIJLIMFN-UHFFFAOYSA-N
Boiling Point
517.8ºC at 760 mmHg
Flash Point
267ºC
Density
1.245g/cm³
Exact Mass
392.17000
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 45036858?
The molecular formula is C24H22F2N2O.
When was the compound created in PubChem?
The compound was created on March 29, 2010.
What is the IUPAC Name of the compound?
The IUPAC Name is 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]benzaldehyde.
What is the InChIKey of the compound?
The InChIKey is HSHAONIIJLIMFN-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts are there in the compound?
There are 5 hydrogen bond acceptor counts in the compound.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.7.
What is the exact mass of the compound?
The exact mass is 392.17001965 g/mol.
How many rotatable bond counts are there in the compound?
There are 5 rotatable bond counts in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area is 23.6 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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CAS
914349-61-4 Purity
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914349-62-5 Purity
97+%
