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5-Fluoro-3-Hydrazonoindolin-2-One

CAT: 1299-RG-F122135-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-F122135-01Size:10 mg
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CAS Number
283584-52-1
Synonyms
5-fluoro-3-hydrazonoindolin-2-one
Molecular Formula
C8H6FN3O
Molecular Weight
179.15
Product Name Synonym
5-fluoro-3-hydrazonoindolin-2-one

Chemical Information

5-Fluoro-3-hydrazonoindolin-2-one
CAS Number283584-52-1
PubChem CID135508209
IUPAC Name3-diazenyl-5-fluoro-1H-indol-2-ol
Molecular FormulaC8H6FN3O
Molecular Weight179.15
XLogP2.8
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity214
SMILES
C1=CC2=C(C=C1F)C(=C(N2)O)N=N
InChI
InChI=1S/C8H6FN3O/c9-4-1-2-6-5(3-4)7(12-10)8(13)11-6/h1-3,10-11,13H
InChIKey
NBUZIGMUYFFWDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-3-hydrazonoindolin-2-one
CAS: 283584-52-1
CID: 135508209
Formula: C8H6FN3O
MW: 179.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.15
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass179.04948999
Monoisotopic Mass179.04948999
Topological Polar Surface Area72.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity214
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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