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642-91-1,MFCD02180526
Catalog No.:AA0039W1

642-91-1 | 2,1-Benzisoxazole-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$83.00   $58.00
- +
1g
98%
in stock  
$200.00   $140.00
- +
5g
98%
in stock  
$686.00   $480.00
- +
10g
98%
in stock  
$1,202.00   $842.00
- +
25g
98%
in stock  
$2,394.00 $1,676.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0039W1
Chemical Name:
2,1-Benzisoxazole-3-carboxylic acid
CAS Number:
642-91-1
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD02180526
SMILES:
OC(=O)c1onc2c1cccc2
NSC Number:
86917
Properties
Computed Properties
 
Complexity:
195  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route
255051-14-0    642-91-1   
benzocisoxazol-3-yl(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)methanone 

[1]JournalofMedicinalChemistry,2019,vol.62,p.5470-5500

Literature
Quotation Request
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SDS
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Tags:642-91-1 Molecular Formula|642-91-1 MDL|642-91-1 SMILES|642-91-1 2,1-Benzisoxazole-3-carboxylic acid
Catalog No.: AA0039W1
642-91-1,MFCD02180526
642-91-1 | 2,1-Benzisoxazole-3-carboxylic acid
Pack Size： 250mg
Purity： 98%
in stock
$83.00 $58.00
Pack Size： 1g
Purity： 98%
in stock
$200.00 $140.00
Pack Size： 5g
Purity： 98%
in stock
$686.00 $480.00
Pack Size： 10g
Purity： 98%
in stock
$1,202.00 $842.00
Pack Size： 25g
Purity： 98%
in stock
$2,394.00 $1,676.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0039W1
Chemical Name: 2,1-Benzisoxazole-3-carboxylic acid
CAS Number: 642-91-1
Molecular Formula: C8H5NO3
Molecular Weight: 163.1302
MDL Number: MFCD02180526
SMILES: OC(=O)c1onc2c1cccc2
NSC Number: 86917
Properties
Complexity: 195  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
255051-14-0    642-91-1   
benzocisoxazol-3-yl(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)methanone 

[1]JournalofMedicinalChemistry,2019,vol.62,p.5470-5500

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