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6097-32-1,MFCD00210406
Catalog No.:AA003IDN
6097-32-1 | 3,4-Dichlorophenylacetone
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
1 week  
$215.00   $150.00
- +
5g
1 week  
$479.00   $335.00
- +
10g
1 week  
$831.00   $582.00
- +
25g
1 week  
$1,542.00   $1,079.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IDN
Chemical Name:
3,4-Dichlorophenylacetone
CAS Number:
6097-32-1
Molecular Formula:
C9H8Cl2O
Molecular Weight:
203.0652
MDL Number:
MFCD00210406
IUPAC Name:
1-(3,4-dichlorophenyl)propan-2-one
InChI:
InChI=1S/C9H8Cl2O/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5H,4H2,1H3
InChI Key:
AJUAASWQUWIMHM-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(c(c1)Cl)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:
3.2  

Synonyms
 
3,4-Dichlorophenylacetone 
6097-32-1 
SCHEMBL1136782 
CTK5B2502 
1-(3,4-dichlorophenyl)propanone 
AJUAASWQUWIMHM-UHFFFAOYSA-N 
ZINC2558079 
EINECS 229-511-9 
9119AB 
ANW-33637 
SBB005841 
3-(3,4-dichlorophenyl)propan-2-one 
1-(3,4-dichlorophenyl)propan-2-one 
AKOS011269556 
MCULE-2987774481 
2-Propanone,1-(3,4-dichlorophenyl)- 
AJ-40096 
TC-122382 
FT-0694461 
ST50406103 
097D321 
I01-8383 
JNV 
1-(3,4-dichlorophenyl)acetone 
C9H8Cl2O 
3',4'-Dichloropropiophenone 
2-chloro-1-phenylpropan-1-one 
KST-1B7338 
CID81060 
AR-1B1198 
ZINC02558079 
3,4-Dichlorophenylacetone, 97% - 1G 1g 
A16084 
6582-42-9 
ACMC-209mnr 
67952-38-9 
AC1Q1K4F 
AC1Q3O8G 
(3,4-dichlorophenyl)acetone 
ghl.PD_Mitscher_leg0.338 
AC1L30J3 
Literature
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