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Home Deuterated Building Blocks 477766-89-5
477766-89-5,MFCD01871451
Catalog No.:AA00INNK

477766-89-5 | 4,7-dimethyl-2-(4-nitrophenyl)-1,5,6,8,10,12-hexaazatricyclo[7.3.0.0^{3,7}]dodeca-4,9,11-triene

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Technical Information
Catalog Number:
AA00INNK
Chemical Name:
4,7-dimethyl-2-(4-nitrophenyl)-1,5,6,8,10,12-hexaazatricyclo[7.3.0.0^{3,7}]dodeca-4,9,11-triene
CAS Number:
477766-89-5
Molecular Formula:
C14H15N7O2
Molecular Weight:
313.3146
MDL Number:
MFCD01871451
SMILES:
CC1=NNC2(C1C(c1ccc(cc1)[N+](=O)[O-])n1ncnc1N2)C
Properties
Computed Properties
 
Complexity:
528  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
3  
XLogP3:
1.8  

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Tags:477766-89-5 Molecular Formula|477766-89-5 MDL|477766-89-5 SMILES|477766-89-5 4,7-dimethyl-2-(4-nitrophenyl)-1,5,6,8,10,12-hexaazatricyclo[7.3.0.0^{3,7}]dodeca-4,9,11-triene