ChemSpider 2D Image | 1-Nitro-3-[(phenylsulfonyl)methyl]benzene | C13H11NO4S

1-Nitro-3-[(phenylsulfonyl)methyl]benzene

  • Molecular FormulaC13H11NO4S
  • Average mass277.296 Da
  • Monoisotopic mass277.040863 Da
  • ChemSpider ID21106829

More details:

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

1-Nitro-3-[(phenylsulfonyl)methyl]benzene [ACD/IUPAC Name]
1-Nitro-3-[(phénylsulfonyl)méthyl]benzène [French] [ACD/IUPAC Name]
1-Nitro-3-[(phenylsulfonyl)methyl]benzol [German] [ACD/IUPAC Name]
Benzene, 1-nitro-3-[(phenylsulfonyl)methyl]- [ACD/Index Name]
1-(benzenesulfonylmethyl)-3-nitrobenzene
1-[(BENZENESULFONYL)METHYL]-3-NITROBENZENE
1-Benzenesulfonylmethyl-3-nitro-benzene
34111-96-1 [RN]
MFCD11840295 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 512.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 263.6±27.9 °C
Index of Refraction: 1.613
Molar Refractivity: 70.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.34
ACD/KOC (pH 5.5): 381.31
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.34
ACD/KOC (pH 7.4): 381.31
Polar Surface Area: 88 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 203.8±3.0 cm3

Click to predict properties on the Chemicalize site


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