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85734-51-6 | 1,3-Pentanedione, 4,4,5,5-tetrafluoro-1-phenyl-5-(trifluoromethoxy)-
CAS No: 85734-51-6 Catalog No: AG004YL2 MDL No:
Product Description
Catalog Number:
AG004YL2
Chemical Name:
1,3-Pentanedione, 4,4,5,5-tetrafluoro-1-phenyl-5-(trifluoromethoxy)-
CAS Number:
85734-51-6
Molecular Formula:
C12H7F7O3
Molecular Weight:
332.1710
IUPAC Name:
4,4,5,5-tetrafluoro-1-phenyl-5-(trifluoromethoxy)pentane-1,3-dione
InChI:
InChI=1S/C12H7F7O3/c13-10(14,11(15,16)22-12(17,18)19)9(21)6-8(20)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
VCIWJEXRAFRISP-UHFFFAOYSA-N
SMILES:
O=C(C(C(OC(F)(F)F)(F)F)(F)F)CC(=O)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.174g/mol
Monoisotopic Mass:
332.028g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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