123207-39-6,MFCD09037896
Catalog No.:AA000K3A

123207-39-6 | Ethyl 5-amino-2-fluorobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$7.00   $5.00
- +
100g
98%
in stock  
$583.00 $408.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000K3A
Chemical Name:
Ethyl 5-amino-2-fluorobenzoate
CAS Number:
123207-39-6
Molecular Formula:
C9H10FNO2
Molecular Weight:
183.1796
MDL Number:
MFCD09037896
SMILES:
CCOC(=O)c1cc(N)ccc1F
Properties
Computed Properties
 
Complexity:
187  
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:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route
123207-39-6    4383-25-9    821-48-7    20017-68-9   
N-benzyl-N-cyclohexyl-5-4-(3,3-diphenyl-1-propyl)piperazin-1-yl-2-fluorobenzamide 

[1]Patent:EP1180514,2002,A1.Locationinpatent:Example60

6628-00-8    123207-39-6    821-48-7    20017-68-9   
N-allyl-N-cyclohexyl-5-4-(3,3-diphenyl-1-propyl)piperazin-1-yl-2-fluorobenzamide 

[1]Patent:EP1180514,2002,A1.Locationinpatent:Example59

[1]Patent:EP1180514,2002,A1.Locationinpatent:Example59

123207-39-6   
rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylicacid 
 
rac-5-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl-amino}-2-fluoro-benzoicacidethylester 

[1]Patent:US2010/75948,2010,A1.Locationinpatent:Page/Pagecolumn170-171

123207-39-6    541-41-3   
C12H14FNO4 

[1]JournalofHeterocyclicChemistry,2015,vol.52,p.1308-1313

Literature
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SDS
Tags:123207-39-6 Molecular Formula|123207-39-6 MDL|123207-39-6 SMILES|123207-39-6 Ethyl 5-amino-2-fluorobenzoate
Catalog No.: AA000K3A
123207-39-6,MFCD09037896
123207-39-6 | Ethyl 5-amino-2-fluorobenzoate
Pack Size: 1g
Purity: 98%
in stock
$7.00 $5.00
Pack Size: 100g
Purity: 98%
in stock
$583.00 $408.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000K3A
Chemical Name: Ethyl 5-amino-2-fluorobenzoate
CAS Number: 123207-39-6
Molecular Formula: C9H10FNO2
Molecular Weight: 183.1796
MDL Number: MFCD09037896
SMILES: CCOC(=O)c1cc(N)ccc1F
Properties
Complexity: 187  
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: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
123207-39-6    4383-25-9    821-48-7    20017-68-9   
N-benzyl-N-cyclohexyl-5-4-(3,3-diphenyl-1-propyl)piperazin-1-yl-2-fluorobenzamide 

[1]Patent:EP1180514,2002,A1.Locationinpatent:Example60

6628-00-8    123207-39-6    821-48-7    20017-68-9   
N-allyl-N-cyclohexyl-5-4-(3,3-diphenyl-1-propyl)piperazin-1-yl-2-fluorobenzamide 

[1]Patent:EP1180514,2002,A1.Locationinpatent:Example59

367-79-3    123207-39-6 

[1]Patent:EP1180514,2002,A1.Locationinpatent:Example59

123207-39-6   
rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylicacid 
 
rac-5-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl-amino}-2-fluoro-benzoicacidethylester 

[1]Patent:US2010/75948,2010,A1.Locationinpatent:Page/Pagecolumn170-171

123207-39-6    541-41-3   
C12H14FNO4 

[1]JournalofHeterocyclicChemistry,2015,vol.52,p.1308-1313

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