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Home Halogens 2,3'-Dichloroacetophenone

2,3'-Dichloroacetophenone

CAS No.:
21886-56-6
Catalog Number:
AG0032XO
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%forsynthesis
In Stock USA
United States
$103
- +
5g
95%forsynthesis
In Stock USA
United States
$269
- +
25g
95%forsynthesis
In Stock USA
United States
$769
- +
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.98g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.035g/mol
Monoisotopic Mass:
187.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties