ChemSpider 2D Image | 4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid | C13H11NO6S

4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid

  • Molecular FormulaC13H11NO6S
  • Average mass309.294 Da
  • Monoisotopic mass309.030701 Da
  • ChemSpider ID28289958

More details:

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

[(2-Furylmethyl)sulfinyl](4-nitrophenyl)acetic acid [ACD/IUPAC Name]
[(2-Furylmethyl)sulfinyl](4-nitrophenyl)essigsäure [German] [ACD/IUPAC Name]
123855-55-0 [RN]
4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid
Acide [(2-furylméthyl)sulfinyl](4-nitrophényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[(2-furanylmethyl)sulfinyl]-4-nitro- [ACD/Index Name]
[(Furan-2-yl)methanesulfinyl](4-nitrophenyl)acetic acid
2-((furan-2-ylmethyl)sulfinyl)-2-(4-nitrophenyl)acetic acid
2-(furan-2-ylmethylsulfinyl)-2-(4-nitrophenyl)acetic acid
2-[(FURAN-2-YL)METHANESULFINYL]-2-(4-NITROPHENYL)ACETIC ACID
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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: 1.6±0.1 g/cm3
Boiling Point: 605.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 319.9±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 74.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 80.9±3.0 dyne/cm
Molar Volume: 199.0±3.0 cm3

Click to predict properties on the Chemicalize site


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