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100765-42-2,MFCD11655320
Catalog No.:AA0002RN
100765-42-2 | 1-(4-Chlorophenyl)-4-methylpentan-3-one
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$231.00   $162.00
- +
500mg
95.0%
3 weeks  
$377.00   $264.00
- +
1g
95.0%
3 weeks  
$485.00   $340.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0002RN
Chemical Name:
1-(4-Chlorophenyl)-4-methylpentan-3-one
CAS Number:
100765-42-2
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
MDL Number:
MFCD11655320
IUPAC Name:
1-(4-chlorophenyl)-4-methylpentan-3-one
InChI:
InChI=1S/C12H15ClO/c1-9(2)12(14)8-5-10-3-6-11(13)7-4-10/h3-4,6-7,9H,5,8H2,1-2H3
InChI Key:
KHAOMSKSCJDYMG-UHFFFAOYSA-N
SMILES:
CC(C(=O)CCc1ccc(cc1)Cl)C
Properties
Computed Properties
 
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.081g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.701g/mol
Monoisotopic Mass:
210.081g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
1-(4-chlorophenyl)-4-methylpentan-3-one 
100765-42-2 
NE24539 
Z1333043408 
3-Pentanone, 1-(4-chlorophenyl)-4-methyl- 
ACMC-20m3u4 
SCHEMBL13841024 
CTK0D9960 
DTXSID60655934 
ZINC36683812 
AKOS009390240 
MCULE-5991928096 
Literature
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