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Home > Fluorides > 162252-92-8
162252-92-8 | 1H-Indole-2,3-dione, 6-(trifluoromethoxy)-
CAS No: 162252-92-8 Catalog No: AG001SXW MDL No:MFCD06804530
Product Description
Catalog Number:
AG001SXW
Chemical Name:
1H-Indole-2,3-dione, 6-(trifluoromethoxy)-
CAS Number:
162252-92-8
Molecular Formula:
C9H4F3NO3
Molecular Weight:
231.1282
MDL Number:
MFCD06804530
IUPAC Name:
6-(trifluoromethoxy)-1H-indole-2,3-dione
InChI:
InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15)
InChI Key:
NHPRQRZWXLBANJ-UHFFFAOYSA-N
SMILES:
O=C1C(=O)Nc2c1ccc(c2)OC(F)(F)F
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.014g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.13g/mol
Monoisotopic Mass:
231.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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