Found 27 results

Search term: MF = 'C_{12}H_{11}Br_{2}NO_{5}'
ChemSpider 2D Image | (2S)-2-[(2,4-Dibromobenzoyl)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name) | C12H11Br2NO5

(2S)-2-[(2,4-Dibromobenzoyl)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name)

  • Molecular FormulaC12H11Br2NO5
  • Average mass409.027 Da
  • Monoisotopic mass406.900391 Da
  • ChemSpider ID56450867

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(2,4-Dibrombenzoyl)amino]-4-methoxy-4-oxobutansäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-[(2,4-Dibromobenzoyl)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S)-2-[(2,4-dibromobenzoyl)amino]-4-méthoxy-4-oxobutanoïque (non-preferred name) [French] [ACD/IUPAC Name]
L-Aspartic acid, N-(2,4-dibromobenzoyl)-, 4-methyl ester [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 543.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 77.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 226.7±3.0 cm3

Click to predict properties on the Chemicalize site


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