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87476-02-6 | Urea, N'-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]-N,N-dimethyl-
CAS No: 87476-02-6 Catalog No: AG004FNE MDL No:
Product Description
Catalog Number:
AG004FNE
Chemical Name:
Urea, N'-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]-N,N-dimethyl-
CAS Number:
87476-02-6
Molecular Formula:
C17H17ClN2O3
Molecular Weight:
332.7815
IUPAC Name:
3-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]-1,1-dimethylurea
InChI:
InChI=1S/C17H17ClN2O3/c1-20(2)17(22)19-14-4-3-5-15(10-14)23-11-16(21)12-6-8-13(18)9-7-12/h3-10H,11H2,1-2H3,(H,19,22)
InChI Key:
LNIQCPPITBEHAI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)COc1cccc(c1)NC(=O)N(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.784g/mol
Monoisotopic Mass:
332.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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