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1,3-bis(3,5-dichlorophenyl)urea

1,3-bis(3,5-dichlorophenyl)urea

CAS: 73439-19-7

Formula: C13H8Cl4N2O

SMILES: ClC1=CC(NC(=O)NC2=CC(Cl)=CC(Cl)=C2)=CC(Cl)=C1

IUPAC: 1,3-bis(3,5-dichlorophenyl)urea

InChI: InChI=1S/C13H8Cl4N2O/c14-7-1-8(15)4-11(3-7)18-13(20)19-12-5-9(16)2-10(17)6-12/h1-6H,(H2,18,19,20)

Composition: C (44.61%), H (2.30%), Cl (40.51%), N (8.00%), O (4.57%)

Molar Mass: 350.02

Atom Count: 28

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 347.9390737
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey VKVJIWVUYNTBEZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 85.27
Topological Polar Surface Area 41.13
Polarizability 31.71
Ring Count 2
Rotatable Bond Count 2

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