1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea

1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea

CAS: 139520-94-8

Formula: C12H15Cl3N2O2

SMILES: CCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(N)=O

IUPAC: 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)

Composition: C (44.26%), H (4.64%), Cl (32.66%), N (8.60%), O (9.83%)

Molar Mass: 325.61

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	324.0199108
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MPNJTIZLDHWBFX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.18
Topological Polar Surface Area	55.56
Polarizability	30.19
Ring Count	1
Rotatable Bond Count	6

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