CAS 65622-33-5 | 2-Propanone, 1,3-bis(4-fluorophenyl)- | CAS Number 65622-33-5

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65622-33-5 | 2-Propanone, 1,3-bis(4-fluorophenyl)-

CAS No: 65622-33-5 Catalog No: AG006QJ4 MDL No:

Product Description

Catalog Number:

AG006QJ4

Chemical Name:

2-Propanone, 1,3-bis(4-fluorophenyl)-

CAS Number:

65622-33-5

Molecular Formula:

C15H12F2O

Molecular Weight:

246.2520

IUPAC Name:

1,3-bis(4-fluorophenyl)propan-2-one

InChI:

InChI=1S/C15H12F2O/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2

InChI Key:

BPARIXKHXBXFHU-UHFFFAOYSA-N

SMILES:

O=C(Cc1ccc(cc1)F)Cc1ccc(cc1)F

Properties

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

246.257g/mol

Monoisotopic Mass:

246.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Structure and dynamics of α-aryl amide and ketone enolates: THF, PMDTA, TMTAN, HMPA, and crypt-solvated lithium enolates, and comparison with phosphazenium analogues.	The Journal of organic chemistry 20100917
Solution structures of lithium enolates of cyclopentanone, cyclohexanone, acetophenones, and benzyl ketones. Triple ions and higher lithiate complexes.	Journal of the American Chemical Society 20090819