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88971-78-2 | Urea, N'-[3-[2-chloro-2-(4-methylphenyl)ethoxy]phenyl]-N,N-dimethyl-
CAS No: 88971-78-2 Catalog No: AG0045C1 MDL No:
Product Description
Catalog Number:
AG0045C1
Chemical Name:
Urea, N'-[3-[2-chloro-2-(4-methylphenyl)ethoxy]phenyl]-N,N-dimethyl-
CAS Number:
88971-78-2
Molecular Formula:
C18H21ClN2O2
Molecular Weight:
332.8245
IUPAC Name:
3-[3-[2-chloro-2-(4-methylphenyl)ethoxy]phenyl]-1,1-dimethylurea
InChI:
InChI=1S/C18H21ClN2O2/c1-13-7-9-14(10-8-13)17(19)12-23-16-6-4-5-15(11-16)20-18(22)21(2)3/h4-11,17H,12H2,1-3H3,(H,20,22)
InChI Key:
ABEOBJNFLBTQOH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(COc1cccc(c1)NC(=O)N(C)C)Cl
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.129g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.828g/mol
Monoisotopic Mass:
332.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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