Home Other Building Blocks Ethyl 6-Oxo-4-(Trifluoromethyl)Hexahydropyridazine-3-Carboxylate

Ethyl 6-Oxo-4-(Trifluoromethyl)Hexahydropyridazine-3-Carboxylate

CAS No.:
184956-73-8
Catalog Number:
AG01DGWD
Molecular Formula:
C8H7F3N2O3
Molecular Weight:
236.1480
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Product Description
Catalog Number:
AG01DGWD
Chemical Name:
Ethyl 6-Oxo-4-(Trifluoromethyl)Hexahydropyridazine-3-Carboxylate
CAS Number:
184956-73-8
Molecular Formula:
C8H7F3N2O3
Molecular Weight:
236.1480
MDL Number:
MFCD30185850
IUPAC Name:
ethyl 6-oxo-4-(trifluoromethyl)diazinane-3-carboxylate
InChI:
InChI=1S/C8H11F3N2O3/c1-2-16-7(15)6-4(8(9,10)11)3-5(14)12-13-6/h4,6,13H,2-3H2,1H3,(H,12,14)
InChI Key:
QAGZNUZTXXEZBF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc(cc1C(F)(F)F)O
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.182g/mol
Monoisotopic Mass:
240.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties