ChemSpider 2D Image | (2-(Dimethylcarbamoyl)phenyl)boronic acid | C9H12BNO3

(2-(Dimethylcarbamoyl)phenyl)boronic acid

  • Molecular FormulaC9H12BNO3
  • Average mass193.008 Da
  • Monoisotopic mass193.091019 Da
  • ChemSpider ID21474303

More details:

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

(2-(Dimethylcarbamoyl)phenyl)boronic acid
[2-(Dimethylcarbamoyl)phenyl]boronic acid [ACD/IUPAC Name]
[2-(Dimethylcarbamoyl)phenyl]borsäure [German] [ACD/IUPAC Name]
2-(Dimethylaminocarbonyl)benzeneboronic acid
874219-16-6 [RN]
Acide [2-(diméthylcarbamoyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-[(dimethylamino)carbonyl]phenyl]- [ACD/Index Name]
MFCD03425959 [MDL number]
(2-(Dimethylcarbamoyl)phenyl)boronicacid
[874219-16-6] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 417.8±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 206.4±29.3 °C
Index of Refraction: 1.553
Molar Refractivity: 51.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 42.07
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 36.18
Polar Surface Area: 61 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 159.9±5.0 cm3

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