Found 147 results

Search term: MF = 'C_{12}H_{7}BrN_{2}O_{2}S'
ChemSpider 2D Image | 2-[(5-Bromo-1,3-thiazol-2-yl)methyl]-1H-isoindole-1,3(2H)-dione | C12H7BrN2O2S

2-[(5-Bromo-1,3-thiazol-2-yl)methyl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC12H7BrN2O2S
  • Average mass323.165 Da
  • Monoisotopic mass321.941162 Da
  • ChemSpider ID62229668

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[(5-bromo-2-thiazolyl)methyl]- [ACD/Index Name]
2-[(5-Brom-1,3-thiazol-2-yl)methyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[(5-Bromo-1,3-thiazol-2-yl)methyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[(5-Bromo-1,3-thiazol-2-yl)méthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-[(5-bromo-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
2060008-44-6 [RN]
MFCD30536035

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

Density: 1.8±0.1 g/cm3
Boiling Point: 441.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 220.8±23.2 °C
Index of Refraction: 1.720
Molar Refractivity: 71.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.14
ACD/KOC (pH 5.5): 435.63
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.14
ACD/KOC (pH 7.4): 435.63
Polar Surface Area: 79 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 179.8±3.0 cm3

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