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USD $100.00-150.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
【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