Compound C28H30Cl2FNO2

4-[4-[(4-chlorophenyl)-hydroxy-phenylmethyl]piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride

CAS: 57257-41-7

Molecular Formula	`C28H30Cl2FNO2`
Molecular Weight	502.4 g/mol
Topological Polar Surface Area	41.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	501.16376
Heavy Atoms	34
Complexity	603.0

Chemical Identifiers

CAS Number	57257-41-7
SMILES	`C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O)CCCC(=O)C4=CC=C(C=C4)F.[Cl-]`
InChIKey	`ITNIXNNCCRHPRB-UHFFFAOYSA-N`

📖 Product Overview

Compound C28H30Cl2FNO2 (CAS: 57257-41-7) is a chemical compound with molecular formula C28H30Cl2FNO2 and molecular weight 502.4 g/mol. Its IUPAC systematic name is 4-[4-[(4-chlorophenyl)-hydroxy-phenylmethyl]piperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride. Topological Polar Surface Area 41.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 501.16376 Heavy Atoms 34 Complexity 603.0 InChI Key: ITNIXNNCCRHPRB-UHFFFAOYSA-N. SMILES: C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O)CCCC(=O)C4=CC=C(C=C4)F.[Cl-].

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