USD $9.00-99.00 / Kilogram
USD $6.00-9.00 / Gram
USD $9.00-99.00 / Kilogram
USD $8.20-8.80 / Kilogram
【name】
cinnoline,4-[2-(4-fluorophenyl)ethenyl]-
【cas registry number】
5387-94-0
【synonyms】
cinnoline,4-(p-fluorostyryl)- (7ci,8ci)
nsc 66105
【molecular formula】
c16h11 f n2 (products with the same molecular formula)
【molecular weight】
250.2703
【inchi】
inchi=1/c16h11fn2/c17-14-9-6-12(7-10-14)5-8-13-11-18-19-16-4-2-1-3-15(13)16/h1-11h
【canonical smiles】
c1=cc=c2c(=c1)c(=cn=n2)c=cc3=cc=c(c=c3)f
chemical and physical properties
【density】
1.267g/cm3
【boiling point】
415.5°cat760mmhg
【refractive index】
1.716
【flash point】
205.1°c
【computed properties】
molecular weight:250.270343 [g/mol]
molecular formula:c16h11fn2
xlogp3-aa:3.6
h-bond donor:0
h-bond acceptor:3
rotatable bond count:2
exact mass:250.090627
monoisotopic mass:250.090627
topological polar surface area:25.8
heavy atom count:19
formal charge:0
complexity:310
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:1
covalently-bonded unit count:1
feature 3d ring count:3
effective rotor count:2
conformer sampling rmsd:0.6
cid conformer count:2