CAS
1273577-45-9 Purity
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1273577-45-9 Purity
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2-(4-Benzylpiperazino)-5-fluorobenzoic acid
CAS
1256633-38-1
Catalog Number
ACM1256633381
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C18H19FN2O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 314.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(4-benzylpiperazin-1-yl)-5-fluorobenzoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C18H19FN2O2/c19-15-6-7-17(16(12-15)18(22)23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,23).
What is the InChIKey of the compound?
The InChIKey of the compound is ULOYDKUTNHOZGG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)F)C(=O)O.
What is the CAS number of the compound?
The CAS number of the compound is 1256633-38-1.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.7.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond count does the compound have?
The compound has 4 rotatable bond count.
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