ChemSpider 2D Image | Benzo[d]thiazole-7-carboxylic acid | C8H5NO2S

Benzo[d]thiazole-7-carboxylic acid

  • Molecular FormulaC8H5NO2S
  • Average mass179.196 Da
  • Monoisotopic mass179.004105 Da
  • ChemSpider ID24181793

More details:

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

1,3-Benzothiazol-7-carbonsäure [German] [ACD/IUPAC Name]
1,3-Benzothiazole-7-carboxylic acid [ACD/IUPAC Name]
677304-83-5 [RN]
7-Benzothiazolecarboxylic acid [ACD/Index Name]
Acide 1,3-benzothiazole-7-carboxylique [French] [ACD/IUPAC Name]
Benzo[d]thiazole-7-carboxylic acid
MFCD13195419 [MDL number]
[677304-83-5] [RN]
1,3-benzothiazole-7-carboxylicacid
7-Benzothiazolecarboxylic acid (9CI)
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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: 1.5±0.1 g/cm3
    Boiling Point: 387.7±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.2±3.0 kJ/mol
    Flash Point: 188.3±20.4 °C
    Index of Refraction: 1.732
    Molar Refractivity: 47.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.69
    ACD/LogD (pH 5.5): -1.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 78 Å2
    Polarizability: 18.8±0.5 10-24cm3
    Surface Tension: 75.9±3.0 dyne/cm
    Molar Volume: 118.8±3.0 cm3

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