CAS 456-04-2 | 2-Chloro-1-(4-fluorophenyl)ethanone | CAS Number 456-04-2

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456-04-2 | 2-Chloro-1-(4-fluorophenyl)ethanone

CAS No: 456-04-2 Catalog No: AG003B70 MDL No:MFCD00011652

Product Description

Catalog Number:

AG003B70

Chemical Name:

2-Chloro-1-(4-fluorophenyl)ethanone

CAS Number:

456-04-2

Molecular Formula:

C8H6ClFO

Molecular Weight:

172.5840

MDL Number:

MFCD00011652

IUPAC Name:

2-chloro-1-(4-fluorophenyl)ethanone

InChI:

InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

InChI Key:

UJZWJOQRSMOFMA-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1ccc(cc1)F

EC Number:

207-256-4

Properties

Complexity:

141

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.583g/mol

Monoisotopic Mass:

172.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
1-(4-Fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate.	Acta crystallographica. Section E, Structure reports online 20111201
1-(4-Fluoro-phen-yl)-2-(1H-imidazol-1-yl)ethanone.	Acta crystallographica. Section E, Structure reports online 20110801
alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship.	Bioorganic & medicinal chemistry letters 20021104