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139520-94-8 | Urea, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-
CAS No: 139520-94-8 Catalog No: AG001B6S MDL No:
Product Description
Catalog Number:
AG001B6S
Chemical Name:
Urea, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-
CAS Number:
139520-94-8
Molecular Formula:
C12H15Cl3N2O2
Molecular Weight:
325.6187
IUPAC Name:
1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea
InChI:
InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)
InChI Key:
MPNJTIZLDHWBFX-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.02g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.614g/mol
Monoisotopic Mass:
324.02g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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