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15145-38-7 | Urea, N-(4-bromophenyl)-N'-(2-chloroethyl)-
CAS No: 15145-38-7 Catalog No: AG001ND0 MDL No:MFCD08444007
Product Description
Catalog Number:
AG001ND0
Chemical Name:
Urea, N-(4-bromophenyl)-N'-(2-chloroethyl)-
CAS Number:
15145-38-7
Molecular Formula:
C9H10BrClN2O
Molecular Weight:
277.5455
MDL Number:
MFCD08444007
IUPAC Name:
1-(4-bromophenyl)-3-(2-chloroethyl)urea
InChI:
InChI=1S/C9H10BrClN2O/c10-7-1-3-8(4-2-7)13-9(14)12-6-5-11/h1-4H,5-6H2,(H2,12,13,14)
InChI Key:
WEBSBVNASIARDC-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccc(cc1)Br
NSC Number:
107548
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.967g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.546g/mol
Monoisotopic Mass:
275.967g/mol
Rotatable Bond Count:
3
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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