ChemSpider 2D Image | N-[(5-Bromo-2-thienyl)methyl]-3-cyanobenzamide | C13H9BrN2OS

N-[(5-Bromo-2-thienyl)methyl]-3-cyanobenzamide

  • Molecular FormulaC13H9BrN2OS
  • Average mass321.192 Da
  • Monoisotopic mass319.961884 Da
  • ChemSpider ID30062050

More details:

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

Benzamide, N-[(5-bromo-2-thienyl)methyl]-3-cyano- [ACD/Index Name]
N-[(5-Brom-2-thienyl)methyl]-3-cyanbenzamid [German] [ACD/IUPAC Name]
N-[(5-Bromo-2-thienyl)methyl]-3-cyanobenzamide [ACD/IUPAC Name]
N-[(5-Bromo-2-thiényl)méthyl]-3-cyanobenzamide [French] [ACD/IUPAC Name]
1241160-85-9 [RN]
MFCD18114354
N-[(5-BROMOTHIOPHEN-2-YL)METHYL]-3-CYANOBENZAMIDE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 511.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 262.8±30.1 °C
Index of Refraction: 1.669
Molar Refractivity: 74.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.29
ACD/KOC (pH 5.5): 1197.99
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.29
ACD/KOC (pH 7.4): 1197.98
Polar Surface Area: 81 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 200.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement