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368869-87-8,MFCD02681909
Catalog No.:AA00C8FK

368869-87-8 | 3,4-Dihydro-2h-1,5-benzodioxepin-7-yl isocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$112.00   $78.00
- +
250mg
95%
in stock  
$211.00   $148.00
- +
1g
95%
in stock  
$610.00   $427.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C8FK
Chemical Name:
3,4-Dihydro-2h-1,5-benzodioxepin-7-yl isocyanate
CAS Number:
368869-87-8
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD02681909
SMILES:
O=C=Nc1ccc2c(c1)OCCCO2
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
238  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartHutinec,Antun;Rupcic,Renata;Ziher,Dinko;Smith,KirstenS.;Milhous,Wilbur;Ellis,William;Ohrt,Colin;Schoenfeld,ZrinkaIvezic[BioorganicandMedicinalChemistry,2011,vol.19,#5,p.1692-1701]

Literature
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Additional Info:
SDS
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Tags:368869-87-8 Molecular Formula|368869-87-8 MDL|368869-87-8 SMILES|368869-87-8 3,4-Dihydro-2h-1,5-benzodioxepin-7-yl isocyanate