USD $1.00-10.00 / Kilogram
USD $30.00-30.00 / Kilogram
USD $15.00-50.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $30.00-30.00 / Kilogram
USD $30.00-30.00 / Kilogram
USD $30.00-30.00 / Kilogram
USD $1.00-10.00 / Kilogram
identification and related records
【name】
1-(4-chlorophenyl)-3-(2-phenylethyl)urea
【cas registry number】
5402-89-1
【synonyms】
1-(4-chlorophenyl)-3-(2-phenylethyl)urea
urea, n-(4-chlorophenyl)-n'-(2-phenylethyl)-
【molecular formula】
c15h15cln2o (products with the same molecular formula)
【molecular weight】
274.7454
【inchi】
inchi=1s/c15h15cln2o/c16-13-6-8-14(9-7-13)18-15(19)17-11-10-12-4-2-1-3-5-12/h1-9h,10-11h2,(h2,17,18,19)
【inchikey】
weazrognzzirpl-uhfffaoysa-n
【canonical smiles】
c1=cc=c(c=c1)ccnc(=o)nc2=cc=c(c=c2)cl
chemical and physical properties
【density】
1.246g/cm3
【boiling point】
407.4°c at 760 mmhg
【refractive index】
1.626
【flash point】
200.2°c
【computed properties】
molecular weight:274.7454 [g/mol]
molecular formula:c15h15cln2o
xlogp3-aa:3.5
h-bond donor:2
h-bond acceptor:1
rotatable bond count:4
tautomer count:3
exact mass:274.087291
monoisotopic mass:274.087291
topological polar surface area:41.1
heavy atom count:19
formal charge:0
complexity:271
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 donor count:2
feature 3d ring count:2
effective rotor count:6
conformer sampling rmsd:0.8
cid conformer count:29