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131728-94-4,MFCD00052603
Catalog No.:AA000ZJS

131728-94-4 | 8-(Chloromethyl)-6-fluoro-4h-1,3-benzodioxine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$54.00   $38.00
- +
1g
95%
in stock  
$159.00   $112.00
- +
5g
95%
in stock  
$477.00   $334.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000ZJS
Chemical Name:
8-(Chloromethyl)-6-fluoro-4h-1,3-benzodioxine
CAS Number:
131728-94-4
Molecular Formula:
C9H8ClFO2
Molecular Weight:
202.6100
MDL Number:
MFCD00052603
SMILES:
ClCc1cc(F)cc2c1OCOC2
Properties
Computed Properties
 
Complexity:
179  
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:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Bagley;Thomas;Rudo;Spencer;Doorley;Ossipov;Jerussi;Benvenga;Spaulding[JournalofMedicinalChemistry,1991,vol.34,#2,p.827-841]

[1]CurrentPatentAssignee:ASTRAZENECAPLC-WO2004/113303,2004,A1Locationinpatent:Page21-22

[1]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC-WO2006/19716,2006,A1Locationinpatent:Page/Pagecolumn177;178

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:131728-94-4 Molecular Formula|131728-94-4 MDL|131728-94-4 SMILES|131728-94-4 8-(Chloromethyl)-6-fluoro-4h-1,3-benzodioxine
Catalog No.: AA000ZJS
131728-94-4,MFCD00052603
131728-94-4 | 8-(Chloromethyl)-6-fluoro-4h-1,3-benzodioxine
Pack Size： 250mg
Purity： 95%
in stock
$54.00 $38.00
Pack Size： 1g
Purity： 95%
in stock
$159.00 $112.00
Pack Size： 5g
Purity： 95%
in stock
$477.00 $334.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000ZJS
Chemical Name: 8-(Chloromethyl)-6-fluoro-4h-1,3-benzodioxine
CAS Number: 131728-94-4
Molecular Formula: C9H8ClFO2
Molecular Weight: 202.6100
MDL Number: MFCD00052603
SMILES: ClCc1cc(F)cc2c1OCOC2
Properties
Complexity: 179  
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: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
61086-18-8    131728-94-4    131728-92-2 

[1]Bagley;Thomas;Rudo;Spencer;Doorley;Ossipov;Jerussi;Benvenga;Spaulding[JournalofMedicinalChemistry,1991,vol.34,#2,p.827-841]

131728-94-4    306934-87-2 

[1]CurrentPatentAssignee:ASTRAZENECAPLC-WO2004/113303,2004,A1Locationinpatent:Page21-22

877162-03-3    131728-94-4    877162-06-6 

[1]CurrentPatentAssignee:LIGANDPHARMACEUTICALSINC-WO2006/19716,2006,A1Locationinpatent:Page/Pagecolumn177;178

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