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Home Other Building Blocks 108961-55-3
108961-55-3,MFCD06655349
Catalog No.:AA0082UX

108961-55-3 | Benzoic acid,2,4-bis(1-methylethyl)-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$183.00   $128.00
- +
100mg
95%
3 weeks  
$217.00   $152.00
- +
250mg
95%
3 weeks  
$259.00   $182.00
- +
500mg
95%
3 weeks  
$342.00   $239.00
- +
1g
95%
3 weeks  
$406.00   $284.00
- +
2.5g
95%
3 weeks  
$558.00   $390.00
- +
5g
95%
3 weeks  
$813.00   $569.00
- +
10g
95%
3 weeks  
$1,133.00   $793.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0082UX
Chemical Name:
Benzoic acid,2,4-bis(1-methylethyl)-
CAS Number:
108961-55-3
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD06655349
SMILES:
CC(c1cc(ccc1C(=O)O)C(C)C)C
Properties
Computed Properties
 
Complexity:
221  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.7  

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:108961-55-3 Molecular Formula|108961-55-3 MDL|108961-55-3 SMILES|108961-55-3 Benzoic acid,2,4-bis(1-methylethyl)-