2,2-Dichloro-1-(4-fluorophenyl)-2-phenylethanone - CAS 1403667-07-1

Catalog:	BB066488
Product Name:	2,2-Dichloro-1-(4-fluorophenyl)-2-phenylethanone
CAS:	1403667-07-1
Synonyms:	2,2-Dichloro-1-(4-fluorophenyl)-2-phenylethanone

Technical Data

IUPAC Name:	2,2-dichloro-1-(4-fluorophenyl)-2-phenylethanone
Description:	2,2-Dichloro-1-(4-fluorophenyl)-2-phenylethanone is employed in the preparation of 4- fluoro- α- [2- methyl- 1- oxopropyl] - γ- oxo- N- β- diphenylbenzene butane amide; the diketone intermediate of atorvastatin.
Molecular Weight:	283.13
Molecular Formula:	C14H9Cl2FO
Canonical SMILES:	C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)F)(Cl)Cl
InChI:	InChI=1S/C14H9Cl2FO/c15-14(16,11-4-2-1-3-5-11)13(18)10-6-8-12(17)9-7-10/h1-9H
InChI Key:	NHWFNDBTRRTXFW-UHFFFAOYSA-N
References:	Srivatsavayi, J. R., et al. From U.S. (2015), US 8946479 B2 20150203; Raju, S. J., et al. From PCT Int. Appl. (2012), WO 2012143933 A1 20121026.

Complexity:	292
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.0014485
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.0014485
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5