Basic information
- Name:
Urea,N,N'-bis(2-bromophenyl)-
- CAS No.:
175278-34-9
- Molecular Structure:
- Formula:
- C13H10Br2N2O
- Molecular Weight:
- 370.04
- Density:
- 1.829 g/cm3
- Melting Point:
- 235 °C
- Boiling Point:
- 344.4 °C at 760 mmHg
- Flash Point:
- 162.1 °C
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Specification
This chemical is called Urea, N,N'-bis(2-bromophenyl)-, and its systematic name is 1,3-Bis(2-bromophenyl)urea. With the molecular formula of C13H10Br2N2O, its molecular weight is 370.04. The CAS registry number of this chemical is 175278-34-9.
Other characteristics of the Urea, N,N'-bis(2-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 964.64; (6)ACD/BCF (pH 7.4): 964.49; (7)ACD/KOC (pH 5.5): 4762.2; (8)ACD/KOC (pH 7.4): 4761.46; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 80.45 cm3; (15)Molar Volume: 202.2 cm3; (16)Polarizability: 31.89×10-24cm3; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.829 g/cm3; (19)Flash Point: 162.1 °C; (20)Enthalpy of Vaporization: 58.84 kJ/mol; (21)Boiling Point: 344.4 °C at 760 mmHg; (22)Vapour Pressure: 6.59E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2ccccc2NC(=O)Nc1ccccc1Br
2.InChI: InChI=1/C13H10Br2N2O/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)
3.InChIKey: KGIPPUCGBSFACI-UHFFFAOYAR