ChemSpider 2D Image | (+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole | C10H11N5O3

(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole

  • Molecular FormulaC10H11N5O3
  • Average mass249.226 Da
  • Monoisotopic mass249.086182 Da
  • ChemSpider ID21169425

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
(3R)-1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-3-pyrrolidinamin [German] [ACD/IUPAC Name]
(3R)-1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-3-pyrrolidinamine [ACD/IUPAC Name]
(3R)-1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)-3-pyrrolidinamine [French] [ACD/IUPAC Name]
(3R)-1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)pyrrolidin-3-amine
(R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole
(R)-1-(7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)pyrrolidin-3-amine
143112-51-0 [RN]
3-Pyrrolidinamine, 1-(7-nitro-2,1,3-benzoxadiazol-4-yl)-, (3R)- [ACD/Index Name]
(3R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

92955_FLUKA [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: 469.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.9±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 62.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.59
Polar Surface Area: 114 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 78.8±3.0 dyne/cm
Molar Volume: 166.7±3.0 cm3

Click to predict properties on the Chemicalize site


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