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327058-51-5

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Basic Information
CAS No.: 327058-51-5
Name: (2E)-N-(4-Bromophenyl)-3-ethoxy-2-propenamide
Article Data: 4
Molecular Structure:
Molecular Structure of 327058-51-5 ((2E)-N-(4-Bromophenyl)-3-ethoxy-2-propenamide)
Formula: C11H12BrNO2
Molecular Weight: 270.126
Synonyms: (2E)-N-(4-Bromophenyl)-3-(ethyloxy)-2-propenamide;(2E)-N-(4-Bromophenyl)-3-ethoxy-2-propenamide;(2E)-N-(4-Bromophenyl)-3-ethoxyprop-2-enamide;
Density: 1.435 g/cm3
Boiling Point: 399.193 °C at 760 mmHg
Flash Point: 195.225 °C
Appearance: Light yellow crystals
PSA: 38.33000
LogP: 3.01080
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Specification

The 2-Propenamide,N-(4-bromophenyl)-3-ethoxy-, (2E)-, with the CAS registry number 327058-51-5, is also known as (2E)-N-(4-Bromophenyl)-3-ethoxy-2-propenamide. It belongs to the product categories of Aromatics Compounds; Aromatics; Intermediates. This chemical's molecular formula is C11H12BrNO2 and molecular weight is 270.12. What's more, its systematic name is (2E)-N-(4-Bromophenyl)-3-ethoxyprop-2-enamide.

Physical properties of 2-Propenamide,N-(4-bromophenyl)-3-ethoxy-, (2E)- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 171; (6)ACD/BCF (pH 7.4): 171; (7)ACD/KOC (pH 5.5): 1379; (8)ACD/KOC (pH 7.4): 1379; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 63.917 cm3; (15)Molar Volume: 188.198 cm3; (16)Polarizability: 25.338×10-24 cm3; (17)Surface Tension: 45.112 dyne/cm; (18)Density: 1.435 g/cm3; (19)Flash Point: 195.225 °C; (20)Enthalpy of Vaporization: 64.988 kJ/mol; (21)Boiling Point: 399.193 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(NC(=O)\C=C\OCC)cc1
(2)InChI: InChI=1S/C11H12BrNO2/c1-2-15-8-7-11(14)13-10-5-3-9(12)4-6-10/h3-8H,2H2,1H3,(H,13,14)/b8-7+
(3)InChIKey: VIIWJXDWZVDVTN-BQYQJAHWSA-N