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Molecule structure of Urea,N,N'-bis(4-chlorophenyl)- (CAS NO.1219-99-4):
IUPAC Name: 1,3-Bis(4-chlorophenyl)urea
Molecular Weight: 281.1373 g/mol
Molecular Formula: C13H10Cl2N2O
Density: 1.45 g/cm3
Boiling Point: 318.3 °C at 760 mmHg
Flash Point: 146.3 °C
Index of Refraction: 1.699
Molar Refractivity: 74.86 cm3
Molar Volume: 193.7 cm3
Surface Tension: 59 dyne/cm
Enthalpy of Vaporization: 55.98 kJ/mol
Vapour Pressure: 0.000364 mmHg at 25 °C
XLogP3: 4.3
H-Bond Donor: 2
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 280.017018
MonoIsotopic Mass: 280.017018
Topological Polar Surface Area: 41.1
Heavy Atom Count: 18
Canonical SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)Cl
InChI: InChI=1S/C13H10Cl2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey of Urea,N,N'-bis(4-chlorophenyl)- (CAS NO.1219-99-4): ZNQCSLYENQIUMJ-UHFFFAOYSA-N
Urea,N,N'-bis(4-chlorophenyl)- (CAS NO.1219-99-4) is also named as N,N'-di(4-chlorophenyl)urea ; 1,3-bis(4-chlorophenyl)urea ; 1,3-Bis-(4-chloro-phenyl)-urea ; 1,3-Bis(4-chlorphenyl)harnstoff ; 4,4'-Dichlorocarbanilide ; Carbanilide, 4,4'-dichloro- ; N,N'-bis(4-chlorophenyl)urea .