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338982-11-9,MFCD01935955
Catalog No.:AA00CR41

338982-11-9 | 3-(4-Chlorophenyl)isoxazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
in stock  
$76.00   $54.00
- +
250mg
in stock  
$175.00   $123.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00CR41
Chemical Name:
3-(4-Chlorophenyl)isoxazole-5-carboxylic acid
CAS Number:
338982-11-9
Molecular Formula:
C10H6ClNO3
Molecular Weight:
223.6125
MDL Number:
MFCD01935955
SMILES:
Clc1ccc(cc1)c1noc(c1)C(=O)O
Properties
Properties
 
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
241  
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:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Wang,Xi-Zhao;Jia,Jiong;Zhang,Yan;Xu,Wei-Ren;Liu,Wei;Shi,Fang-Niu;Wang,Jian-Wu[JournaloftheChineseChemicalSociety,2007,vol.54,#3,p.643-652]

[2]Chen,Ming;Liu,Jiyuan;Tian,Zhen;Liu,Xueying;Zhang,Shengyong[MedicinalChemistryResearch,2018,vol.27,#5,p.1355-1365]

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:338982-11-9 Molecular Formula|338982-11-9 MDL|338982-11-9 SMILES|338982-11-9 3-(4-Chlorophenyl)isoxazole-5-carboxylic acid
Catalog No.: AA00CR41
338982-11-9,MFCD01935955
338982-11-9 | 3-(4-Chlorophenyl)isoxazole-5-carboxylic acid
Pack Size： 100mg
Purity：
in stock
$76.00 $54.00
Pack Size： 250mg
Purity：
in stock
$175.00 $123.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00CR41
Chemical Name: 3-(4-Chlorophenyl)isoxazole-5-carboxylic acid
CAS Number: 338982-11-9
Molecular Formula: C10H6ClNO3
Molecular Weight: 223.6125
MDL Number: MFCD01935955
SMILES: Clc1ccc(cc1)c1noc(c1)C(=O)O
Properties
Storage: Room Temperature;Keep in dry area;  
Complexity: 241  
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: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
206055-90-5    338982-11-9 

[1]Wang,Xi-Zhao;Jia,Jiong;Zhang,Yan;Xu,Wei-Ren;Liu,Wei;Shi,Fang-Niu;Wang,Jian-Wu[JournaloftheChineseChemicalSociety,2007,vol.54,#3,p.643-652]

[2]Chen,Ming;Liu,Jiyuan;Tian,Zhen;Liu,Xueying;Zhang,Shengyong[MedicinalChemistryResearch,2018,vol.27,#5,p.1355-1365]

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