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162401-59-4,MFCD03964657
Catalog No.:AA00APCG

162401-59-4 | 4-(Difluoromethoxy)-3-methoxybenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
in stock  
$140.00   $98.00
- +
5g
in stock  
$308.00   $216.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00APCG
Chemical Name:
4-(Difluoromethoxy)-3-methoxybenzoic acid
CAS Number:
162401-59-4
Molecular Formula:
C9H8F2O4
Molecular Weight:
218.1542
MDL Number:
MFCD03964657
SMILES:
COc1cc(ccc1OC(F)F)C(=O)O
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US5712298,1998,A

162401-59-4   
C18H17F4N3O3 
 
C27H23F6N3O6 

[1]CurrentPatentAssignee:ENANTAPHARMACEUTICALSINC-WO2021/66922,2021,A1Locationinpatent:Page/Pagecolumn65;66;91;92

162401-59-4   
C22H25F4N3O2 
 
C31H31F6N3O5 

[1]CurrentPatentAssignee:ENANTAPHARMACEUTICALSINC-WO2021/66922,2021,A1Locationinpatent:Page/Pagecolumn65;66;80

Literature
Quotation Request
Company Name:
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SDS
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Tags:162401-59-4 Molecular Formula|162401-59-4 MDL|162401-59-4 SMILES|162401-59-4 4-(Difluoromethoxy)-3-methoxybenzoic acid
Catalog No.: AA00APCG
162401-59-4,MFCD03964657
162401-59-4 | 4-(Difluoromethoxy)-3-methoxybenzoic acid
Pack Size： 1g
Purity：
in stock
$140.00 $98.00
Pack Size： 5g
Purity：
in stock
$308.00 $216.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00APCG
Chemical Name: 4-(Difluoromethoxy)-3-methoxybenzoic acid
CAS Number: 162401-59-4
Molecular Formula: C9H8F2O4
Molecular Weight: 218.1542
MDL Number: MFCD03964657
SMILES: COc1cc(ccc1OC(F)F)C(=O)O
Properties
Complexity: 222  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
22889-78-7    162401-59-4    162401-29-8 

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US5712298,1998,A

162401-59-4   
C18H17F4N3O3 
 
C27H23F6N3O6 

[1]CurrentPatentAssignee:ENANTAPHARMACEUTICALSINC-WO2021/66922,2021,A1Locationinpatent:Page/Pagecolumn65;66;91;92

162401-59-4   
C22H25F4N3O2 
 
C31H31F6N3O5 

[1]CurrentPatentAssignee:ENANTAPHARMACEUTICALSINC-WO2021/66922,2021,A1Locationinpatent:Page/Pagecolumn65;66;80

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