Home Nitriles (2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile

(2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile

CAS No.:
886502-60-9
Catalog Number:
AG00IZI0
Molecular Formula:
C9H9F3N2O
Molecular Weight:
218.1758
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$559
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Product Description
Catalog Number:
AG00IZI0
Chemical Name:
(2Z,3E)-2-[(dimethylamino)methylidene]-6,6,6-trifluoro-5-oxohex-3-enenitrile
CAS Number:
886502-60-9
Molecular Formula:
C9H9F3N2O
Molecular Weight:
218.1758
MDL Number:
MFCD08461908
IUPAC Name:
2-(dimethylaminomethylidene)-6,6,6-trifluoro-5-oxohex-3-enenitrile
InChI:
InChI=1S/C9H9F3N2O/c1-14(2)6-7(5-13)3-4-8(15)9(10,11)12/h3-4,6H,1-2H3
InChI Key:
TUGAEQANYNUJPL-UHFFFAOYSA-N
SMILES:
CN(/C=C(\C#N)/C=C/C(=O)C(F)(F)F)C
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.179g/mol
Monoisotopic Mass:
218.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
1.6  
Properties