ChemSpider 2D Image | 2-(7-(trifluoromethyl)chroman-4-yl)acetic acid | C12H11F3O3

2-(7-(trifluoromethyl)chroman-4-yl)acetic acid

  • Molecular FormulaC12H11F3O3
  • Average mass260.209 Da
  • Monoisotopic mass260.066040 Da
  • ChemSpider ID24318096

More details:

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

[7-(Trifluormethyl)-3,4-dihydro-2H-chromen-4-yl]essigsäure [German] [ACD/IUPAC Name]
[7-(Trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid [ACD/IUPAC Name]
1121583-64-9 [RN]
2-(7-(trifluoromethyl)chroman-4-yl)acetic acid
2H-1-Benzopyran-4-acetic acid, 3,4-dihydro-7-(trifluoromethyl)- [ACD/Index Name]
3,4-Dihydro-7-(trifluoromethyl)-2H-1-benzopyran-4-acetic acid
Acide [7-(trifluorométhyl)-3,4-dihydro-2H-chromén-4-yl]acétique [French] [ACD/IUPAC Name]
[1121583-64-9] [RN]
[7-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-YL]ACETIC ACID
'1121583-64-9 [EINECS]
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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: 1.3±0.1 g/cm3
    Boiling Point: 356.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.4±3.0 kJ/mol
    Flash Point: 169.1±27.9 °C
    Index of Refraction: 1.491
    Molar Refractivity: 55.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 2.18
    ACD/BCF (pH 5.5): 14.73
    ACD/KOC (pH 5.5): 117.18
    ACD/LogD (pH 7.4): 0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.86
    Polar Surface Area: 47 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 38.6±3.0 dyne/cm
    Molar Volume: 193.0±3.0 cm3

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