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102433-48-7 | Urea, N-(2-chloroethyl)-N'-(4-ethylphenyl)-
CAS No: 102433-48-7 Catalog No: AG0007GI MDL No:
Product Description
Catalog Number:
AG0007GI
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(4-ethylphenyl)-
CAS Number:
102433-48-7
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
IUPAC Name:
1-(2-chloroethyl)-3-(4-ethylphenyl)urea
InChI:
InChI=1S/C11H15ClN2O/c1-2-9-3-5-10(6-4-9)14-11(15)13-8-7-12/h3-6H,2,7-8H2,1H3,(H2,13,14,15)
InChI Key:
ZHYNQODKDFBRDD-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccc(cc1)CC
NSC Number:
107545
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.704g/mol
Monoisotopic Mass:
226.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| A comparative molecular field and comparative molecular similarity indices analyses (CoMFA and CoMSIA) of N-phenyl-N'-(2-chloroethyl)ureas targeting the colchicine-binding site as anticancer agents. | Bioorganic & medicinal chemistry 20080215 |
| Antimitotic antitumor agents: synthesis, structure-activity relationships, and biological characterization of N-aryl-N'-(2-chloroethyl)ureas as new selective alkylating agents. | Journal of medicinal chemistry 20010301 |
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