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Search term: 76697-50-2 (Found by approved synonym)
ChemSpider 2D Image | 2-(Isopropylsulfonyl)aniline | C9H13NO2S

2-(Isopropylsulfonyl)aniline

  • Molecular FormulaC9H13NO2S
  • Average mass199.270 Da
  • Monoisotopic mass199.066696 Da
  • ChemSpider ID21474120

More details:

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

1-Amino-2-(isopropylsulphonyl)benzene
2-(Isopropylsulfonyl)anilin [German] [ACD/IUPAC Name]
2-(Isopropylsulfonyl)aniline [ACD/IUPAC Name]
2-(Isopropylsulfonyl)aniline [French] [ACD/IUPAC Name]
76697-50-2 [RN]
Benzenamine, 2-[(1-methylethyl)sulfonyl]- [ACD/Index Name]
[76697-50-2] [RN]
1-Amino-2-(isopropylsulfonyl)benzene
1-Amino-2-(isopropylsulphonyl) benzene
1-amino-2-(isopropylsulphonyl)benzene(wx602066)
More...

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

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 381.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.3±25.7 °C
Index of Refraction: 1.549
Molar Refractivity: 53.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.07
ACD/KOC (pH 5.5): 126.56
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 126.56
Polar Surface Area: 69 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 166.9±3.0 cm3

Click to predict properties on the Chemicalize site


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