ChemSpider 2D Image | (3-Bromo-4-methylphenyl)acetic acid | C9H9BrO2

(3-Bromo-4-methylphenyl)acetic acid

  • Molecular FormulaC9H9BrO2
  • Average mass229.071 Da
  • Monoisotopic mass227.978592 Da
  • ChemSpider ID16340471

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3-Brom-4-methylphenyl)essigsäure [German] [ACD/IUPAC Name]
(3-Bromo-4-methylphenyl)acetic acid [ACD/IUPAC Name]
Acide (3-bromo-4-méthylphényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-bromo-4-methyl- [ACD/Index Name]
1053661-17-8 [RN]
1201633-84-2 [RN]
2-(3-bromo-4-methylphenyl)acetic acid
3-BROMO-4-METHYLPHENYLACETIC ACID
atoms 12 bonds 12
MFCD18392223

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 338.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 158.6±23.7 °C
Index of Refraction: 1.583
Molar Refractivity: 49.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 5.22
ACD/KOC (pH 5.5): 48.35
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 149.3±3.0 cm3

Click to predict properties on the Chemicalize site


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