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72076-50-7,MFCD06809670
Catalog No.:AA005D7T

72076-50-7 | Dimethyl 5-isothiocyanatoisophthalate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
94%
in stock  
$150.00   $105.00
- +
5g
94%
in stock  
$579.00   $405.00
- +
25g
94%
in stock  
$2,150.00   $1,505.00
- +
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Technical Information
Catalog Number:
AA005D7T
Chemical Name:
Dimethyl 5-isothiocyanatoisophthalate
CAS Number:
72076-50-7
Molecular Formula:
C11H9NO4S
Molecular Weight:
251.2585
MDL Number:
MFCD06809670
SMILES:
S=C=Nc1cc(cc(c1)C(=O)OC)C(=O)OC
Properties
Computed Properties
 
Complexity:
327  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
5  
XLogP3:
3  

Literature
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Additional Info:
SDS
Tags:72076-50-7 Molecular Formula|72076-50-7 MDL|72076-50-7 SMILES|72076-50-7 Dimethyl 5-isothiocyanatoisophthalate