Found 2167 results

Search term: MF = 'C_{13}H_{13}BrO_{3}'
ChemSpider 2D Image | (1S,2S)-2-(4-Bromobenzoyl)cyclopentanecarboxylic acid | C13H13BrO3

(1S,2S)-2-(4-Bromobenzoyl)cyclopentanecarboxylic acid

  • Molecular FormulaC13H13BrO3
  • Average mass297.145 Da
  • Monoisotopic mass296.004791 Da
  • ChemSpider ID29211851

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-(4-Brombenzoyl)cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1S,2S)-2-(4-Bromobenzoyl)cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2S)-2-(4-bromobenzoyl)cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-(4-bromobenzoyl)-, (1S,2S)- [ACD/Index Name]
(±)-TRANS-2-(4-BROMO-BENZOYL)-CYCLOPENTANECARBOXYLIC ACID
(1S,2S)-2-(4-Bromobenzoyl)cyclopentane-1-carboxylic acid
[733740-98-2] [RN]
[959123-24-1] [RN]
733740-98-2 [RN]
959123-24-1 [RN]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 455.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 229.2±27.3 °C
Index of Refraction: 1.601
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 3.77
ACD/KOC (pH 5.5): 40.36
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 194.2±3.0 cm3

Click to predict properties on the Chemicalize site


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