Home Carboxys ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate

ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate

CAS No.:
318237-87-5
Catalog Number:
AG00I611
Molecular Formula:
C15H12F3NO4
Molecular Weight:
327.2553
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Product Description
Catalog Number:
AG00I611
Chemical Name:
ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CAS Number:
318237-87-5
Molecular Formula:
C15H12F3NO4
Molecular Weight:
327.2553
MDL Number:
MFCD01315620
IUPAC Name:
ethyl 2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
InChI:
InChI=1S/C15H12F3NO4/c1-2-23-14(22)11-9-10(11)13(21)19(12(9)20)8-5-3-4-7(6-8)15(16,17)18/h3-6,9-11H,2H2,1H3
InChI Key:
NZBQUPPEQIVYQC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C2C1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.072g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.259g/mol
Monoisotopic Mass:
327.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties