Ethanone,1-(2-fluor...

Ethanone,1-(2-fluoro-1-naphthalenyl)-(CAS No. 5471-32-9)

Ethanone,1-(2-fluoro-1-naphthalenyl)-(CAS No. 5471-32-9)

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Ethanone,1-(2-fluoro-1-naphthalenyl)- Ethanone,1-(2-fluoro-1-naphthalenyl)-(CAS No. 5471-32-9) 5471-32-9

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  • Appearance:Solid
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Details:

【Name】
Ethanone,1-(2-fluoro-1-naphthalenyl)-
【CAS Registry number】
5471-32-9
【Synonyms】
1'-Acetonaphthone,2'-fluoro- (8CI)
1-Acetyl-2-fluoronaphthalene
NSC 26060
【Molecular Formula】
C12H9 F O (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C12H9FO/c1-8(14)12-10-5-3-2-4-9(10)6-7-11(12)13/h2-7H,1H3
【Canonical SMILES】
CC(=O)C1=C(C=CC2=CC=CC=C21)F
【MOL File】
5471-32-9.mol
Chemical and Physical Properties
【Density】
1.181g/cm3
【Boiling Point】
303.8°Cat760mmHg
【Refractive Index】
1.594
【Flash Point】
124.1°C
【Computed Properties】
Molecular Weight:188.197663 [g/mol]
Molecular Formula:C12H9FO
XLogP3-AA:3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:188.063743
MonoIsotopic Mass:188.063743
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Formal Charge:0
Complexity:226
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

 

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