USD $9.00-99.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $9.00-99.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $9.00-99.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $9.00-99.00 / Kilogram
USD $1.00-1.00 / Kilogram
【name】
cyclohexanebutanoicacid, 2,2,2-trichloroethyl ester
【iupac name】
2,2,2-trichloroethyl 4-cyclohexylbutanoate
【cas registry number】
5432-70-2
【synonyms】
nsc 5967
【molecular formula】
c12h19 cl3 o2 (products with the same molecular formula)
【molecular weight】
301.6371
【inchi】
inchi=1/c12h19cl3o2/c13-12(14,15)9-17-11(16)8-4-7-10-5-2-1-3-6-10/h10h,1-9h2
【canonical smiles】
c1ccc(cc1)cccc(=o)occ(cl)(cl)cl
chemical and physical properties
【density】
1.217g/cm3
【boiling point】
380.9°cat760mmhg
【refractive index】
1.491
【flash point】
144°c
【computed properties】
molecular weight:301.63706 [g/mol]
molecular formula:c12h19cl3o2
xlogp3-aa:5.5
h-bond donor:0
h-bond acceptor:2
rotatable bond count:6
exact mass:300.045063
monoisotopic mass:300.045063
topological polar surface area:26.3
heavy atom count:17
formal charge:0
complexity:232
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:1
effective rotor count:8.2
conformer sampling rmsd:0.8
cid conformer count:255