Home Fluorides 289039-81-2
289039-81-2,MFCD00142916
Catalog No.:AA002WY7

289039-81-2 | 2-Fluoro-4-isopropoxybenzoic acid

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Purity
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250mg
98%
in stock  
$145.00   $102.00
- +
1g
98%
in stock  
$344.00   $241.00
- +
5g
98%
in stock  
$1,009.00   $706.00
- +
10g
98%
in stock  
$1,607.00   $1,125.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA002WY7
Chemical Name:
2-Fluoro-4-isopropoxybenzoic acid
CAS Number:
289039-81-2
Molecular Formula:
C10H11FO3
Molecular Weight:
198.1909
MDL Number:
MFCD00142916
SMILES:
CC(Oc1ccc(c(c1)F)C(=O)O)C
Properties
Computed Properties
 
Complexity:
206  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.3  

Downstream Synthesis Route
289039-81-2   
((3R,5R)-3,5-dimethylpiperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanonehydrochloride 
 
((3R,5R)-4-(2-fluoro-4-isopropoxybenzoyl)-3,5-dimethylpiperazin-1-yl)(2-fluoro-4-methoxyphenyl)methanone 

[1]Bolduc,DavidM.;Colombo,Federico;Cook,Andrew;Ioannidis,Stephanos;Larsen,NicholasA.;Nguyen,Toung-Vi;Omoto,Kiyoyuki;Reynolds,Dominic;Rolfe,Alan;Vaillancourt,FrédéricH.;Virrankoski,Milena;Yao,Shihua;Yu,Lihua;Zhu,Ping[ACSMedicinalChemistryLetters,2020]

Literature
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SDS
Tags:289039-81-2 Molecular Formula|289039-81-2 MDL|289039-81-2 SMILES|289039-81-2 2-Fluoro-4-isopropoxybenzoic acid