Home Aminos 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-3-[(phenylamino)methylene]-

2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-3-[(phenylamino)methylene]-

CAS No.:
142503-36-4
Catalog Number:
AG006Y9A
Molecular Formula:
C12H7F6NO2
Molecular Weight:
311.1799
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG006Y9A
Chemical Name:
2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-3-[(phenylamino)methylene]-
CAS Number:
142503-36-4
Molecular Formula:
C12H7F6NO2
Molecular Weight:
311.1799
MDL Number:
MFCD28954189
IUPAC Name:
1,1,1,5,5,5-hexafluoro-4-hydroxy-3-(phenyliminomethyl)pent-3-en-2-one
InChI:
InChI=1S/C12H7F6NO2/c13-11(14,15)9(20)8(10(21)12(16,17)18)6-19-7-4-2-1-3-5-7/h1-6,20H
InChI Key:
SBXAVYQTYXGRBO-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)C(=CNc1ccccc1)C(=O)C(F)(F)F
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.038g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.183g/mol
Monoisotopic Mass:
311.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.9  
Properties