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1330765-12-2,MFCD20231201
Catalog No.:AA00HSPB

1330765-12-2 | Tert-Butyl 3-(Trifluoromethylsulfonyloxy)-4,5,6,8-Tetrahydropyrazolo[3,4-C]Azepine-7(1H)-Carboxylate

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Technical Information
Catalog Number:
AA00HSPB
Chemical Name:
Tert-Butyl 3-(Trifluoromethylsulfonyloxy)-4,5,6,8-Tetrahydropyrazolo[3,4-C]Azepine-7(1H)-Carboxylate
CAS Number:
1330765-12-2
Molecular Formula:
C13H18F3N3O5S
Molecular Weight:
385.3593
MDL Number:
MFCD20231201
SMILES:
O=C(N1CCCc2c(C1)[nH]nc2OS(=O)(=O)C(F)(F)F)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
600  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.4  

Literature
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SDS
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Tags:1330765-12-2 Molecular Formula|1330765-12-2 MDL|1330765-12-2 SMILES|1330765-12-2 Tert-Butyl 3-(Trifluoromethylsulfonyloxy)-4,5,6,8-Tetrahydropyrazolo[3,4-C]Azepine-7(1H)-Carboxylate