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459218-95-2,MFCD01341858
Catalog No.:AA003T1Q

459218-95-2 | N-Isopropyl 3-fluorobenzamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$43.00   $30.00
- +
5g
95%
in stock  
$107.00   $75.00
- +
25g
95%
in stock  
$250.00   $175.00
- +
100g
95%
in stock  
$567.00 $397.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003T1Q
Chemical Name:
N-Isopropyl 3-fluorobenzamide
CAS Number:
459218-95-2
Molecular Formula:
C10H12FNO
Molecular Weight:
181.2068
MDL Number:
MFCD01341858
SMILES:
CC(NC(=O)c1cccc(c1)F)C
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
182  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Bedford,RobinB.;Engelhart,JensU.;Haddow,MairiF.;Mitchell,CharlotteJ.;Webster,RuthL.[DaltonTransactions,2010,vol.39,#43,p.10464-10472]

459218-95-2   
8-fluoro-3-isopropylbenzod1,2,3triazin-4(3H)-one 

[1]Chirila,PaulaG.;Skibinski,Lauren;Miller,Keith;Hamilton,Alex;Whiteoak,ChristopherJ.[AdvancedSynthesisandCatalysis,2018,vol.360,#12,p.2324-2332]

459218-95-2   
3-methyl-5H-1,4,2-dioxazol-5-one 
 
2-acetamido-3-fluoro-N-isopropylbenzamide 

[1]Chirila,PaulaG.;Skibinski,Lauren;Miller,Keith;Hamilton,Alex;Whiteoak,ChristopherJ.[AdvancedSynthesisandCatalysis,2018,vol.360,#12,p.2324-2332]

[1]Chirila,PaulaG.;Skibinski,Lauren;Miller,Keith;Hamilton,Alex;Whiteoak,ChristopherJ.[AdvancedSynthesisandCatalysis,2018,vol.360,#12,p.2324-2332]

1666-13-3    459218-95-2   
3-fluoro-N-isopropyl-2-(phenylselanyl)benzamide 

[1]Ma,Wenbo;Weng,Zhengyun;Fang,Xinyue;Gu,Linghui;Song,Yupin;Ackermann,Lutz[EuropeanJournalofOrganicChemistry,2019,vol.2019,#1,p.41-45]

Literature
Quotation Request
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SDS
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Tags:459218-95-2 Molecular Formula|459218-95-2 MDL|459218-95-2 SMILES|459218-95-2 N-Isopropyl 3-fluorobenzamide
Catalog No.: AA003T1Q
459218-95-2,MFCD01341858
459218-95-2 | N-Isopropyl 3-fluorobenzamide
Pack Size： 1g
Purity： 95%
in stock
$43.00 $30.00
Pack Size： 5g
Purity： 95%
in stock
$107.00 $75.00
Pack Size： 25g
Purity： 95%
in stock
$250.00 $175.00
Pack Size： 100g
Purity： 95%
in stock
$567.00 $397.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003T1Q
Chemical Name: N-Isopropyl 3-fluorobenzamide
CAS Number: 459218-95-2
Molecular Formula: C10H12FNO
Molecular Weight: 181.2068
MDL Number: MFCD01341858
SMILES: CC(NC(=O)c1cccc(c1)F)C
Properties
Storage: Keep in dry area;2-8℃;  
Complexity: 182  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
459218-95-2    1259161-69-7    1259161-68-6    1259161-72-2 

[1]Bedford,RobinB.;Engelhart,JensU.;Haddow,MairiF.;Mitchell,CharlotteJ.;Webster,RuthL.[DaltonTransactions,2010,vol.39,#43,p.10464-10472]

459218-95-2   
8-fluoro-3-isopropylbenzod1,2,3triazin-4(3H)-one 

[1]Chirila,PaulaG.;Skibinski,Lauren;Miller,Keith;Hamilton,Alex;Whiteoak,ChristopherJ.[AdvancedSynthesisandCatalysis,2018,vol.360,#12,p.2324-2332]

459218-95-2   
3-methyl-5H-1,4,2-dioxazol-5-one 
 
2-acetamido-3-fluoro-N-isopropylbenzamide 

[1]Chirila,PaulaG.;Skibinski,Lauren;Miller,Keith;Hamilton,Alex;Whiteoak,ChristopherJ.[AdvancedSynthesisandCatalysis,2018,vol.360,#12,p.2324-2332]

75-31-0    1711-07-5    459218-95-2 

[1]Chirila,PaulaG.;Skibinski,Lauren;Miller,Keith;Hamilton,Alex;Whiteoak,ChristopherJ.[AdvancedSynthesisandCatalysis,2018,vol.360,#12,p.2324-2332]

1666-13-3    459218-95-2   
3-fluoro-N-isopropyl-2-(phenylselanyl)benzamide 

[1]Ma,Wenbo;Weng,Zhengyun;Fang,Xinyue;Gu,Linghui;Song,Yupin;Ackermann,Lutz[EuropeanJournalofOrganicChemistry,2019,vol.2019,#1,p.41-45]

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