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Home > Fluorides > 893737-60-5
893737-60-5 | 5-Pentafluorophenyl-1H-indole-2,3-dione
CAS No: 893737-60-5 Catalog No: AG01EYO8 MDL No:
Product Description
Catalog Number:
AG01EYO8
Chemical Name:
5-Pentafluorophenyl-1H-indole-2,3-dione
CAS Number:
893737-60-5
Molecular Formula:
C14H4F5NO2
Molecular Weight:
313.1791
IUPAC Name:
5-(2,3,4,5,6-pentafluorophenyl)-1H-indole-2,3-dione
InChI:
InChI=1S/C14H4F5NO2/c15-8-7(9(16)11(18)12(19)10(8)17)4-1-2-6-5(3-4)13(21)14(22)20-6/h1-3H,(H,20,21,22)
InChI Key:
VDNHSKMPZPFLMH-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.016g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.183g/mol
Monoisotopic Mass:
313.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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