1,3-bis(2,4,6-trichlorophenyl)urea

1,3-bis(2,4,6-trichlorophenyl)urea

CAS: 20632-35-3

Formula: C13H6Cl6N2O

SMILES: ClC1=CC(Cl)=C(NC(=O)NC2=C(Cl)C=C(Cl)C=C2Cl)C(Cl)=C1

IUPAC: 1,3-bis(2,4,6-trichlorophenyl)urea

InChI: InChI=1S/C13H6Cl6N2O/c14-5-1-7(16)11(8(17)2-5)20-13(22)21-12-9(18)3-6(15)4-10(12)19/h1-4H,(H2,20,21,22)

Composition: C (37.27%), H (1.44%), Cl (50.78%), N (6.69%), O (3.82%)

Molar Mass: 418.9

Atom Count: 28

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	415.861129
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	KCPIVZYPHAUCOR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	94.88
Topological Polar Surface Area	41.13
Polarizability	35.68
Ring Count	2
Rotatable Bond Count	2

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