CAS 21886-56-6 | 2,3'-Dichloroacetophenone | CAS Number 21886-56-6

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21886-56-6 | 2,3'-Dichloroacetophenone

CAS No: 21886-56-6 Catalog No: AG0032XO MDL No:MFCD07783975

Product Description

Catalog Number:

AG0032XO

Chemical Name:

2,3'-Dichloroacetophenone

CAS Number:

21886-56-6

Molecular Formula:

C8H6Cl2O

Molecular Weight:

189.0386

MDL Number:

MFCD07783975

IUPAC Name:

2-chloro-1-(3-chlorophenyl)ethanone

InChI:

InChI=1S/C8H6Cl2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

InChI Key:

AVUVSYIYUADCKE-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1cccc(c1)Cl

Properties

Complexity:

147

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
Engineering the phenylacetaldehyde reductase mutant for improved substrate conversion in the presence of concentrated 2-propanol.	Applied microbiology and biotechnology 20071201
Chiral alcohol production by NADH-dependent phenylacetaldehyde reductase coupled with in situ regeneration of NADH.	European journal of biochemistry 20020501