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80403-82-3,MFCD02736475
Catalog No.:AA005B3C

80403-82-3 | 3-(3-Chloroisoxazol-5-yl)propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$172.00   $120.00
- +
5g
95%
in stock  
$685.00   $479.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005B3C
Chemical Name:
3-(3-Chloroisoxazol-5-yl)propanoic acid
CAS Number:
80403-82-3
Molecular Formula:
C6H6ClNO3
Molecular Weight:
175.5697
MDL Number:
MFCD02736475
SMILES:
OC(=O)CCc1cc(no1)Cl
Properties
Computed Properties
 
Complexity:
153  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Lugosi,Peter;Schawartz,Jozsef;Doleschall,Gabor[Tetrahedron,1981,vol.37,#17,p.3061-3066]

[1]Gombos,Zsuzsanna;Nyitrai,Jozsef;Doleschall,Gabor;Kolonits,Pal;Parkanyi,Laszlo;Kalman,Alajos[JournaloftheChemicalSociety.PerkintransactionsI,1993,#1,p.139-144]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:80403-82-3 Molecular Formula|80403-82-3 MDL|80403-82-3 SMILES|80403-82-3 3-(3-Chloroisoxazol-5-yl)propanoic acid |Halogenated_Heterocycles