Home Nitro Compounds 866157-24-6
866157-24-6,MFCD05669957
Catalog No.:AA00IT5R

866157-24-6 | 7-(4-methylbenzoyl)-13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene

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Technical Information
Catalog Number:
AA00IT5R
Chemical Name:
7-(4-methylbenzoyl)-13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
CAS Number:
866157-24-6
Molecular Formula:
C21H16N2O4
Molecular Weight:
360.3627
MDL Number:
MFCD05669957
SMILES:
Cc1ccc(cc1)C(=O)c1cccc2c1NCc1c(O2)ccc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
555  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
4.5  

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SDS
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Tags:866157-24-6 Molecular Formula|866157-24-6 MDL|866157-24-6 SMILES|866157-24-6 7-(4-methylbenzoyl)-13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene