Found 1349 results

Search term: MF = 'C_{16}H_{20}BrNO_{4}'
ChemSpider 2D Image | (3R,4S)-4-(4-bromophenyl)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid | C16H20BrNO4

(3R,4S)-4-(4-bromophenyl)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid

  • Molecular FormulaC16H20BrNO4
  • Average mass370.238 Da
  • Monoisotopic mass369.057556 Da
  • ChemSpider ID24541260

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-(4-bromophenyl)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
(3R,4S)-4-(4-Bromophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(3R,4S)-4-(4-Bromphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-(4-bromophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)- [ACD/Index Name]
1217829-96-3 [RN]
Acide (3R,4S)-4-(4-bromophényl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3R,4S)-4-(4-Bromophenyl)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
(3R,4S)-4-(4-Bromophenyl)-1-(tert-butoxycarbonyl)-pyrrolidine-3-carboxylic acid
(3R,4S)-4-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
(4S,3R)-1-[(tert-butyl)oxycarbonyl]-4-(4-bromophenyl)pyrrolidine-3-carboxylic cid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 478.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 243.2±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 15.37
ACD/KOC (pH 5.5): 108.55
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 67 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 259.6±3.0 cm3

Click to predict properties on the Chemicalize site


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