Home Fluorides 165963-73-5
165963-73-5,MFCD07369163
Catalog No.:AA001WCX

165963-73-5 | Benzoic acid, 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester

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Technical Information
Catalog Number:
AA001WCX
Chemical Name:
Benzoic acid, 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester
CAS Number:
165963-73-5
Molecular Formula:
C21H28F3N3O7
Molecular Weight:
491.4581
MDL Number:
MFCD07369163
SMILES:
COC(=O)c1ccc(cc1OCCOCCOCCNC(=O)OC(C)(C)C)C1(N=N1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
707  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
15  
XLogP3:
3.1  

Literature
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Tags:165963-73-5 Molecular Formula|165963-73-5 MDL|165963-73-5 SMILES|165963-73-5 Benzoic acid, 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester