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6-Fluoro-1-indanone

CAT: 1266-JH637049Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH637049Size:1 Each
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CAS Number
1481-32-9
UN Code
UN 2811
Hazard Statement
Xn
HS Code
2934999099
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Molecular Formula
C9H7FO
Molecular Weight
150.15
Product Name Synonym
6-fluoro-2,3-dihydroinden-1-one
Physical Properties
White to light yellow crystal powder
Hazardous Class
3
Safety Statements
S26-S36
Density
1.669g/cm3
Flash Point
29.9oC
RIDADR
UN 2811
Melting Point
56-60oC

Chemical Information

6-Fluoro-1-indanone
CAS Number1481-32-9
PubChem CID1519464
IUPAC Name6-fluoro-2,3-dihydroinden-1-one
Molecular FormulaC9H7FO
Molecular Weight150.15
XLogP1.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity178
SMILES
C1CC(=O)C2=C1C=CC(=C2)F
InChI
InChI=1S/C9H7FO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChIKey
LVUUCFIQQHEFEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoro-1-indanone
CAS: 1481-32-9
CID: 1519464
Formula: C9H7FO
MW: 150.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.15
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass150.048093005
Monoisotopic Mass150.048093005
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity178
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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