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100638-26-4,MFCD01213656
Catalog No.:AA0002GN
100638-26-4 | 3-Chloro-n-(3-fluorophenyl)propanamide
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Price(USD)
Quantity
  
1g
95%
in stock  
$74.00   $52.00
- +
5g
95%
in stock  
$212.00   $148.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0002GN
Chemical Name:
3-Chloro-n-(3-fluorophenyl)propanamide
CAS Number:
100638-26-4
Molecular Formula:
C9H9ClFNO
Molecular Weight:
201.6253
MDL Number:
MFCD01213656
IUPAC Name:
3-chloro-N-(3-fluorophenyl)propanamide
InChI:
InChI=1S/C9H9ClFNO/c10-5-4-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13)
InChI Key:
NXEZFWIYWQILFE-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Nc1cccc(c1)F
Properties
Computed Properties
 
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.036g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.625g/mol
Monoisotopic Mass:
201.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3-chloro-N-(3-fluorophenyl)propanamide 
100638-26-4 
ZINC5568825 
7216AC 
BBL022630 
MFCD01213656 
STL261806 
AKOS000263769 
MCULE-3473652881 
UPCMLD0ENAT5948498:001 
3-chloro-N-(3-fluorophenyl) propanamide 
AJ-54320 
Propanamide, 3-chloro-N-(3-fluorophenyl)- 
AB0158044 
RT-008687 
FT-0684038 
EN300-25816 
W-8124 
I14-28837 
Z235363033 
C9H9ClFNO 
CID3555695 
AC1MS9EN 
AC1Q4LRO 
SCHEMBL4050787 
CTK3J9147 
DTXSID40393605 
NXEZFWIYWQILFE-UHFFFAOYSA-N 
ALBB-016586 
Literature
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