ChemSpider 2D Image | Ethyl 4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylate | C14H13NO3S

Ethyl 4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylate

  • Molecular FormulaC14H13NO3S
  • Average mass275.323 Da
  • Monoisotopic mass275.061615 Da
  • ChemSpider ID29363234

More details:

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

[1]Benzoxepino[5,4-d]thiazole-2-carboxylic acid, 4,5-dihydro-, ethyl ester [ACD/Index Name]
1189816-01-0 [RN]
4,5-Dihydro[1]benzoxépino[5,4-d][1,3]thiazole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazole-2-carboxylate [ACD/IUPAC Name]
Ethyl 4,5-dihydrobenzo[2,3]oxepino[4,5-d]thiazole-2-carboxylate
Ethyl-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-2-carboxylat [German] [ACD/IUPAC Name]
1-Benzyl-5-phenyl-1H-tetrazole [ACD/IUPAC Name]
4,5-Dihydro-[1]benzoxepino[5,4-d]thiazole-2-carboxylic acid ethyl ester
MFCD25542414

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: 1.3±0.1 g/cm3
    Boiling Point: 450.2±43.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±3.0 kJ/mol
    Flash Point: 226.0±28.2 °C
    Index of Refraction: 1.604
    Molar Refractivity: 72.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.43
    ACD/LogD (pH 5.5): 3.41
    ACD/BCF (pH 5.5): 230.20
    ACD/KOC (pH 5.5): 1707.65
    ACD/LogD (pH 7.4): 3.41
    ACD/BCF (pH 7.4): 230.20
    ACD/KOC (pH 7.4): 1707.66
    Polar Surface Area: 77 Å2
    Polarizability: 28.9±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 212.0±3.0 cm3

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