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4,6-Difluorooxindole

CAT: 0127-PC3023Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC3023Size:1 Each
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CAS Number
247564-57-4
Synonyms
4,6-Difluoro-1,3-dihydro-2H-indol-2-one
MDL Number
MFCD01075217
Purity
=95%
Smiles
Fc1cc(F)c2CC(=O)Nc2c1

Chemical Information

4,6-Difluorooxindole
CAS Number247564-57-4
PubChem CID21282037
IUPAC Name4,6-difluoro-1,3-dihydroindol-2-one
Molecular FormulaC8H5F2NO
Molecular Weight169.13
XLogP1
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity209
SMILES
C1C2=C(C=C(C=C2F)F)NC1=O
InChI
InChI=1S/C8H5F2NO/c9-4-1-6(10)5-3-8(12)11-7(5)2-4/h1-2H,3H2,(H,11,12)
InChIKey
RVFYSTJIJULFHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Difluorooxindole
CAS: 247564-57-4
CID: 21282037
Formula: C8H5F2NO
MW: 169.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.13
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass169.03392011
Monoisotopic Mass169.03392011
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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