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Home Halogens 3',4'-Dichloroacetophenone

3',4'-Dichloroacetophenone

CAS No.:
2642-63-9
Catalog Number:
AG002T50
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG002T50
Chemical Name:
3',4'-Dichloroacetophenone
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:
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:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties