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956986-59-7,MFCD07329987
Catalog No.:AA00IJA4

956986-59-7 | 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$204.00   $143.00
- +
100mg
95%
3 weeks  
$252.00   $177.00
- +
250mg
95%
3 weeks  
$311.00   $218.00
- +
500mg
95%
3 weeks  
$488.00   $342.00
- +
1g
95%
3 weeks  
$649.00   $454.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00IJA4
Chemical Name:
2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile
CAS Number:
956986-59-7
Molecular Formula:
C13H13N3
Molecular Weight:
211.2624
MDL Number:
MFCD07329987
SMILES:
N#CCc1ccc(cc1)n1nc(cc1C)C
Properties
Computed Properties
 
Complexity:
272  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.3  

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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Tags:956986-59-7 Molecular Formula|956986-59-7 MDL|956986-59-7 SMILES|956986-59-7 2-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]acetonitrile