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102052-39-1,MFCD03412402
Catalog No.:AA0006D6
102052-39-1 | 1-(2,3-Dichlorophenyl)propan-2-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
2 weeks  
$1,137.00   $796.00
- +
5g
97%
2 weeks  
$3,139.00   $2,197.00
- +
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Technical Information
Catalog Number:
AA0006D6
Chemical Name:
1-(2,3-Dichlorophenyl)propan-2-one
CAS Number:
102052-39-1
Molecular Formula:
C9H8Cl2O
Molecular Weight:
203.0652
MDL Number:
MFCD03412402
IUPAC Name:
1-(2,3-dichlorophenyl)propan-2-one
InChI:
InChI=1S/C9H8Cl2O/c1-6(12)5-7-3-2-4-8(10)9(7)11/h2-4H,5H2,1H3
InChI Key:
XDICTTCDZLICHJ-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1cccc(c1Cl)Cl
Properties
Computed Properties
 
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.995g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.062g/mol
Monoisotopic Mass:
201.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
1-(2,3-dichlorophenyl)propan-2-one 
102052-39-1 
ZINC2529959 
SBB016919 
AKOS015850186 
2-Propanone, 1-(2,3-dichlorophenyl)- 
FT-0645272 
ST50405670 
I14-105945 
ZINC02529959 
CID2734761 
2,3-Dichlorophenylacetone 
2-Propanone,1-(2,3-dichlorophenyl)- 
1-(2,3-dichlorophenyl)acetone 
AC1MC1VE 
ACMC-1C5A4 
SCHEMBL8984622 
CTK4A0627 
DTXSID50370487 
Literature
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