The Acetamide,N-[(2-bromophenyl)methyl]- with CAS registry number of 74315-07-4 is also known as N-[(2-Bromophenyl)methyl]acetamide. Its systematic name is N-(2-Bromobenzyl)acetamide. In addition, the formula is C9H10BrNO and the molecular weight is 228.09. This chemical should be stored in sealed containers in cool, dry place and away from oxidizing agents.
Physical properties about Acetamide,N-[(2-bromophenyl)methyl]- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.32; (6)ACD/BCF (pH 7.4): 8.32; (7)ACD/KOC (pH 5.5): 158.57; (8)ACD/KOC (pH 7.4): 158.57; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 51.74 cm3; (15)Molar Volume: 160.8 cm3; (16)Polarizability: 20.51×10-24cm3; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.417 g/cm3; (19)Flash Point: 189.5 °C; (20)Enthalpy of Vaporization: 63.91 kJ/mol; (21)Boiling Point: 389.7 °C at 760 mmHg; (22)Vapour Pressure: 2.79E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Brc1ccccc1CNC(=O)C
2. InChI: InChI=1/C9H10BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3,(H,11,12)
3. InChIKey: BWFCPQHLMPFBQH-UHFFFAOYAO
4. Std. InChI: InChI=1S/C9H10BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3,(H,11,12)
5. Std. InChIKey: BWFCPQHLMPFBQH-UHFFFAOYSA-N
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