USD $6.00-9.00 / Gram
USD $100.00-150.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $100.00-150.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $8.20-8.80 / Kilogram
USD $8.20-8.80 / Kilogram
USD $8.20-8.80 / Kilogram
identification and related records
【name】
quinoline, 2-[2-(4-bromophenyl)ethenyl]-
【iupac name】
2-[2-(4-bromophenyl)ethenyl]quinoline
【cas registry number】
5396-94-1
【synonyms】
nsc4405
【molecular formula】
c17h12 br n (products with the same molecular formula)
【molecular weight】
0
【inchi】
inchi=1/c17h12brn/c18-15-9-5-13(6-10-15)7-11-16-12-8-14-3-1-2-4-17(14)19-16/h1-12h
【inchikey】
gnfdgjrvtzzwfa-yrnvussqsa-n
【canonical smiles】
c1=cc=c2c(=c1)c=cc(=n2)c=cc3=cc=c(c=c3)br
【mol file】
5396-94-1.mol
chemical and physical properties
【density】
1.434g/cm3
【boiling point】
435.7°c at 760 mmhg
【refractive index】
1.741
【flash point】
217.3°c
【computed properties】
molecular weight:310.18788 [g/mol]
molecular formula:c17h12brn
xlogp3:5.2
h-bond donor:0
h-bond acceptor:1
rotatable bond count:2
exact mass:309.015312
monoisotopic mass:309.015312
topological polar surface area:12.9
heavy atom count:19
formal charge:0
complexity:306
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 acceptor count:1
feature 3d hydrophobe count:1
feature 3d ring count:3
effective rotor count:2
conformer sampling rmsd:0.6
cid conformer count:3