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Home Deuterated Building Blocks 701947-53-7
701947-53-7,MFCD05129220
Catalog No.:AA00FBFQ

701947-53-7 | 3,5-dimethyl PIT-1

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$38.00   $26.00
- +
5mg
≥98%
in stock  
$159.00   $111.00
- +
10mg
≥98%
in stock  
$279.00   $195.00
- +
25mg
≥98%
in stock  
$609.00   $426.00
- +
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Technical Information
Catalog Number:
AA00FBFQ
Chemical Name:
3,5-dimethyl PIT-1
CAS Number:
701947-53-7
Molecular Formula:
C16H15N3O4S
Molecular Weight:
345.3730
MDL Number:
MFCD05129220
SMILES:
S=C(Nc1cc(ccc1O)[N+](=O)[O-])NC(=O)c1cc(C)cc(c1)C
Properties
Computed Properties
 
Complexity:
486  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
3.7  

Literature
Quotation Request
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Additional Info:
SDS
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Tags:701947-53-7 Molecular Formula|701947-53-7 MDL|701947-53-7 SMILES|701947-53-7 3,5-dimethyl PIT-1