CAS 2642-63-9 | Ethanone, 1-(3,4-dichlorophenyl)- | CAS Number 2642-63-9

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 2642-63-9

2642-63-9 | Ethanone, 1-(3,4-dichlorophenyl)-

CAS No: 2642-63-9 Catalog No: AG002T50 MDL No:MFCD00000553

Product Description

Catalog Number:

AG002T50

Chemical Name:

Ethanone, 1-(3,4-dichlorophenyl)-

CAS Number:

2642-63-9

Molecular Formula:

C8H6Cl2O

Molecular Weight:

189.0386

MDL Number:

MFCD00000553

IUPAC Name:

1-(3,4-dichlorophenyl)ethanone

InChI:

InChI=1S/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3

InChI Key:

WBPAOUHWPONFEQ-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc(c(c1)Cl)Cl

EC Number:

220-146-0

NSC Number:

403673

Properties

Complexity:

158

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.035g/mol

Monoisotopic Mass:

187.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
(2E)-1-(3,4-Dichloro-phen-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.	Acta crystallographica. Section E, Structure reports online 20120201
(E)-3-(4-Bromo-phen-yl)-1-(3,4-dichloro-phen-yl)prop-2-en-1-one.	Acta crystallographica. Section E, Structure reports online 20090401