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88971-80-6 | Urea, N'-[3-[2-chloro-2-(4-chlorophenyl)ethoxy]phenyl]-N,N-dimethyl-
CAS No: 88971-80-6 Catalog No: AG0045XS MDL No:
Product Description
Catalog Number:
AG0045XS
Chemical Name:
Urea, N'-[3-[2-chloro-2-(4-chlorophenyl)ethoxy]phenyl]-N,N-dimethyl-
CAS Number:
88971-80-6
Molecular Formula:
C17H18Cl2N2O2
Molecular Weight:
353.2430
IUPAC Name:
3-[3-[2-chloro-2-(4-chlorophenyl)ethoxy]phenyl]-1,1-dimethylurea
InChI:
InChI=1S/C17H18Cl2N2O2/c1-21(2)17(22)20-14-4-3-5-15(10-14)23-11-16(19)12-6-8-13(18)9-7-12/h3-10,16H,11H2,1-2H3,(H,20,22)
InChI Key:
QOFWRKDWIAGVQS-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(COc1cccc(c1)NC(=O)N(C)C)Cl
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.075g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.243g/mol
Monoisotopic Mass:
352.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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