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Home > Fluorides > 101931-60-6
101931-60-6 | 1,2-Pentanedione, 5,5,5-trifluoro-4-hydroxy-1-(4-nitrophenyl)-4-(trifluoromethyl)-
CAS No: 101931-60-6 Catalog No: AG0005YU MDL No:
Product Description
Catalog Number:
AG0005YU
Chemical Name:
1,2-Pentanedione, 5,5,5-trifluoro-4-hydroxy-1-(4-nitrophenyl)-4-(trifluoromethyl)-
CAS Number:
101931-60-6
Molecular Formula:
C12H7F6NO5
Molecular Weight:
359.1781
IUPAC Name:
5,5,5-trifluoro-4-hydroxy-1-(4-nitrophenyl)-4-(trifluoromethyl)pentane-1,2-dione
InChI:
InChI=1S/C12H7F6NO5/c13-11(14,15)10(22,12(16,17)18)5-8(20)9(21)6-1-3-7(4-2-6)19(23)24/h1-4,22H,5H2
InChI Key:
RJLWBZHWFSHJJH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C(F)(F)F)(C(F)(F)F)O
NSC Number:
162378
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.023g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.18g/mol
Monoisotopic Mass:
359.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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