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5439-17-8

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Basic Information
CAS No.: 5439-17-8
Name: 2-Bromo-N-(3-methylphenyl)acetamide
Article Data: 26
Molecular Structure:
Molecular Structure of 5439-17-8 (2-Bromo-N-(3-methylphenyl)acetamide)
Formula: C9H10BrNO
Molecular Weight: 228.088
Synonyms: Acetamide, 2-bromo-N-(3-methylphenyl)-;
Density: 1.5 g/cm3
Boiling Point: 351.5 °C at 760 mmHg
Flash Point: 166.4 °C
PSA: 29.10000
LogP: 2.40140
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Specification

The 2-Bromo-N-(3-methylphenyl)acetamide, with the CAS registry number 5439-17-8, is also known as Acetamide, 2-bromo-N-(3-methylphenyl)-. This chemical's molecular formula is C9H10BrNO and molecular weight is 228.09. What's more, its IUPAC name is 2-Bromo-N-(3-methylphenyl)acetamide.

Physical properties about 2-Bromo-N-(3-methylphenyl)acetamide are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.67; (6)ACD/BCF (pH 7.4): 29.67; (7)ACD/KOC (pH 5.5): 393.96; (8)ACD/KOC (pH 7.4): 393.96; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 53.08 cm3; (15)Molar Volume: 151.9 cm3; (16)Polarizability: 21.04×10-24 cm3; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 166.4 °C; (20)Enthalpy of Vaporization: 59.62 kJ/mol; (21)Boiling Point: 351.5 °C at 760 mmHg; (22)Vapour Pressure: 4.08E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1cc(ccc1)C)CBr
(2) InChI: InChI=1/C9H10BrNO/c1-7-3-2-4-8(5-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
(3) InChIKey: FSQVBULEPAWPNF-UHFFFAOYAH