ChemSpider 2D Image | METHYL 5-BROMO-3-[(TERT-BUTOXYCARBONYL)AMINO]THIOPHENE-2-CARBOXYLATE | C11H14BrNO4S

METHYL 5-BROMO-3-[(TERT-BUTOXYCARBONYL)AMINO]THIOPHENE-2-CARBOXYLATE

  • Molecular FormulaC11H14BrNO4S
  • Average mass336.202 Da
  • Monoisotopic mass334.982697 Da
  • ChemSpider ID28424993

More details:

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

2-Thiophenecarboxylic acid, 5-bromo-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester [ACD/Index Name]
5-Bromo-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
946604-99-5 [RN]
Methyl 5-bromo-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-thiophenecarboxylate [ACD/IUPAC Name]
METHYL 5-BROMO-3-[(TERT-BUTOXYCARBONYL)AMINO]THIOPHENE-2-CARBOXYLATE
METHYL 5-BROMO-3-{[(TERT-BUTOXY)CARBONYL]AMINO}THIOPHENE-2-CARBOXYLATE
Methyl-5-brom-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
5-Bromo-3-tert-butoxycarbonylAmino-thiophene-2-carboxylic acid methyl ester
Methyl 5-bromo-3-((t-butoxycarbonyl)amino)thiophene-2-carboxylate
Methyl 5-bromo-3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylate
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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: 353.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±3.0 kJ/mol
    Flash Point: 167.3±27.9 °C
    Index of Refraction: 1.581
    Molar Refractivity: 74.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.67
    ACD/LogD (pH 5.5): 3.94
    ACD/BCF (pH 5.5): 580.90
    ACD/KOC (pH 5.5): 3312.42
    ACD/LogD (pH 7.4): 3.94
    ACD/BCF (pH 7.4): 580.89
    ACD/KOC (pH 7.4): 3312.39
    Polar Surface Area: 93 Å2
    Polarizability: 29.3±0.5 10-24cm3
    Surface Tension: 47.8±3.0 dyne/cm
    Molar Volume: 222.0±3.0 cm3

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