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Home > Fluorides > 959236-54-5
959236-54-5 | 4-(trifluoromethoxy)-1H-Indole-2,3-dione
CAS No: 959236-54-5 Catalog No: AG0039C5 MDL No:MFCD09954827
Product Description
Catalog Number:
AG0039C5
Chemical Name:
4-(trifluoromethoxy)-1H-Indole-2,3-dione
CAS Number:
959236-54-5
Molecular Formula:
C9H4F3NO3
Molecular Weight:
231.1282
MDL Number:
MFCD09954827
IUPAC Name:
4-(trifluoromethoxy)-1H-indole-2,3-dione
InChI:
InChI=1S/C9H4F3NO3/c10-9(11,12)16-5-3-1-2-4-6(5)7(14)8(15)13-4/h1-3H,(H,13,14,15)
InChI Key:
LBLDKICVIXUAFI-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)c(ccc2)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:
1.9
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