Name: N-(4-Bromophenyl)cinnamamide
SKU: 54934-81-5

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Basic Information

Molecular Structure:
CAS No.:	54934-81-5
Name:	N-(4-Bromophenyl)cinnamamide
Article Data:	6

Formula:	C₁₅H₁₂BrNO
Molecular Weight:	302.17
Synonyms:	(2E)-N-(4-Bromophenyl)-3-phenylprop-2-enamide;
Density:	1.455 g/cm³
Boiling Point:	472.9 °C at 760 mmHg
Flash Point:	239.8 °C
PSA:	29.10000
LogP:	4.17400

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Specification

The N-(4-Bromophenyl)cinnamamide, with the CAS registry number 54934-81-5, is also known as N-(4-Bromophenyl)-3-phenylpropenamide. This chemical's molecular formula is C₁₅H₁₂BrNO and molecular weight is 302.17. What's more, its systematic name is (2E)-N-(4-Bromophenyl)-3-phenylprop-2-enamide.

Physical properties about N-(4-Bromophenyl)cinnamamide are: (1)ACD/LogP: 4.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.9; (4)ACD/LogD (pH 7.4): 4.9; (5)ACD/BCF (pH 5.5): 3117.16; (6)ACD/BCF (pH 7.4): 3117.15; (7)ACD/KOC (pH 5.5): 11026.23; (8)ACD/KOC (pH 7.4): 11026.22; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 79.04 cm³; (15)Molar Volume: 207.5 cm³; (16)Polarizability: 31.33×10^-24 cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.455 g/cm³; (19)Flash Point: 239.8 °C; (20)Enthalpy of Vaporization: 73.59 kJ/mol; (21)Boiling Point: 472.9 °C at 760 mmHg; (22)Vapour Pressure: 4.13E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(NC(=O)\C=C\c1ccccc1)cc2
(2) InChI: InChI=1/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
(3) InChIKey: CPHIJOVRKMUDKW-IZZDOVSWBK