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Search term: MKBIJCPQTPFQKQ-UHFFFAOYAR (Found by InChIKey (full match))
ChemSpider 2D Image | Ethyl 3-nitrobenzoate | C9H9NO4

Ethyl 3-nitrobenzoate

  • Molecular FormulaC9H9NO4
  • Average mass195.172 Da
  • Monoisotopic mass195.053162 Da
  • ChemSpider ID21106111

More details:

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

Ethyl 3-nitrobenzoate [ACD/IUPAC Name]
3-Nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
3-Nitrobenzoic acid ethyl ester
618-98-4 [RN]
Benzoic acid, 3-nitro-, ethyl ester [ACD/Index Name]
ethyl m-nitrobenzoate
Ethyl-3-nitrobenzoat [German] [ACD/IUPAC Name]
MFCD00014702 [MDL number]
m-Nitrobenzoic acid, ethyl ester
[618-98-4] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.3±0.1 g/cm3
Boiling Point: 298.7±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 137.0±21.8 °C
Index of Refraction: 1.545
Molar Refractivity: 49.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.20
ACD/KOC (pH 5.5): 379.96
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.20
ACD/KOC (pH 7.4): 379.96
Polar Surface Area: 72 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 155.7±3.0 cm3

Click to predict properties on the Chemicalize site


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