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Search term: MF = 'C_{12}H_{10}BrNO_{2}S'
ChemSpider 2D Image | [2-(4-Bromobenzyl)-1,3-thiazol-4-yl]acetic acid | C12H10BrNO2S

[2-(4-Bromobenzyl)-1,3-thiazol-4-yl]acetic acid

  • Molecular FormulaC12H10BrNO2S
  • Average mass312.182 Da
  • Monoisotopic mass310.961548 Da
  • ChemSpider ID22252299

More details:

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

[2-(4-Brombenzyl)-1,3-thiazol-4-yl]essigsäure [German] [ACD/IUPAC Name]
[2-(4-Bromobenzyl)-1,3-thiazol-4-yl]acetic acid [ACD/IUPAC Name]
1053656-92-0 [RN]
2-[(4-Bromophenyl)methyl]-4-thiazoleacetic acid
2-{2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl}acetic acid
4-Thiazoleacetic acid, 2-[(4-bromophenyl)methyl]- [ACD/Index Name]
Acide [2-(4-bromobenzyl)-1,3-thiazol-4-yl]acétique [French] [ACD/IUPAC Name]
[2-(4-Bromobenzyl)thiazol-4-y]acetic acid
[2-(4-Bromobenzyl)thiazol-4-yl]acetic acid
{2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl}acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 480.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±3.0 kJ/mol
    Flash Point: 244.2±25.9 °C
    Index of Refraction: 1.646
    Molar Refractivity: 70.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 13.17
    ACD/KOC (pH 5.5): 103.52
    ACD/LogD (pH 7.4): 0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.69
    Polar Surface Area: 78 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 60.6±3.0 dyne/cm
    Molar Volume: 195.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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