Found 3591 results

Search term: MF = 'C_{12}H_{11}BrN_{2}O'
ChemSpider 2D Image | 2-(4-Bromobenzoyl)-3-(dimethylamino)acrylonitrile | C12H11BrN2O

2-(4-Bromobenzoyl)-3-(dimethylamino)acrylonitrile

  • Molecular FormulaC12H11BrN2O
  • Average mass279.133 Da
  • Monoisotopic mass278.005463 Da
  • ChemSpider ID24590333

More details:

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

2-(4-Brombenzoyl)-3-(dimethylamino)acrylonitril [German] [ACD/IUPAC Name]
2-(4-Bromobenzoyl)-3-(dimethylamino)acrylonitrile [ACD/IUPAC Name]
2-(4-Bromobenzoyl)-3-(diméthylamino)acrylonitrile [French] [ACD/IUPAC Name]
52200-18-7 [RN]
Benzenepropanenitrile, 4-bromo-α-[(dimethylamino)methylene]-β-oxo- [ACD/Index Name]
(E)-2-(4-bromobenzoyl)-3-(dimethylamino)acrylonitrile
2-(4-BROMOBENZOYL)-3-(DIMETHYLAMINO)PROP-2-ENENITRILE
2-[(4-Bromophenyl)carbonyl]-3-(dimethylamino)prop-2-enenitrile
2-[(Dimethylamino)methylene]-3-(4-bromophenyl)-3-oxo-propanenitrile
3-(Dimethylamino)-2-(4-bromobenzoyl)acrylonitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 452.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.2±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.97
ACD/KOC (pH 5.5): 572.20
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.97
ACD/KOC (pH 7.4): 572.22
Polar Surface Area: 44 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 197.2±3.0 cm3

Click to predict properties on the Chemicalize site


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