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Search term: 672309-91-0 (Found by approved synonym)
ChemSpider 2D Image | Methyl 7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-carboxylate | C11H13BrN2O2

Methyl 7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-carboxylate

  • Molecular FormulaC11H13BrN2O2
  • Average mass285.137 Da
  • Monoisotopic mass284.016022 Da
  • ChemSpider ID21373770

More details:

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

1H-1,4-Benzodiazepine-2-carboxylic acid, 7-bromo-2,3,4,5-tetrahydro-, methyl ester [ACD/Index Name]
672309-91-0 [RN]
7-Bromo-2,3,4,5-tétrahydro-1H-1,4-benzodiazépine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
7-BROMO-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2-CARBOXYLIC ACID METHYL ESTER
Methyl 7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-2-carboxylate [ACD/IUPAC Name]
Methyl 7-bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]-diazepine-2-carboxylate
Methyl-7-brom-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-carboxylat [German] [ACD/IUPAC Name]
[672309-91-0] [RN]
7-Bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]-
7-Bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]-diazepine-2-carboxylic acid methyl ester
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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: 1.4±0.1 g/cm3
    Boiling Point: 393.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.3±3.0 kJ/mol
    Flash Point: 191.5±27.9 °C
    Index of Refraction: 1.551
    Molar Refractivity: 63.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.65
    ACD/LogD (pH 5.5): -0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.14
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 6.03
    ACD/KOC (pH 7.4): 111.78
    Polar Surface Area: 50 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 40.3±3.0 dyne/cm
    Molar Volume: 199.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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