Home Other Building Blocks 4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione

4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione

CAS No.:
559-94-4
Catalog Number:
AG00DE0J
Molecular Formula:
C10H5F7O2S
Molecular Weight:
322.1993
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$142
- +
1g
95%
1 week
United States
$232
- +
5g
95%
1 week
United States
$913
- +
Product Description
Catalog Number:
AG00DE0J
Chemical Name:
4,4,5,5,6,6,6-Heptafluoro-1-(2-thienyl)-1,3-hexanedione
CAS Number:
559-94-4
Molecular Formula:
C10H5F7O2S
Molecular Weight:
322.1993
MDL Number:
MFCD00047091
IUPAC Name:
4,4,5,5,6,6,6-heptafluoro-1-thiophen-2-ylhexane-1,3-dione
InChI:
InChI=1S/C10H5F7O2S/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6/h1-3H,4H2
InChI Key:
QHOQGOZSTQAYRH-UHFFFAOYSA-N
SMILES:
O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)c1cccs1
NSC Number:
9187
Properties
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.99g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.197g/mol
Monoisotopic Mass:
321.99g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties