ChemSpider 2D Image | 5-Methoxy-4-nitro-2-thiophenecarboxylic acid | C6H5NO5S

5-Methoxy-4-nitro-2-thiophenecarboxylic acid

  • Molecular FormulaC6H5NO5S
  • Average mass203.173 Da
  • Monoisotopic mass202.988846 Da
  • ChemSpider ID24202890

More details:

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

2-Thiophenecarboxylic acid, 5-methoxy-4-nitro- [ACD/Index Name]
5-Methoxy-4-nitro-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Methoxy-4-nitro-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-méthoxy-4-nitro-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
204326-35-2 [RN]
2-THIOPHENECARBOXYLIC ACID 5-METHOXY-4-NITRO-
2-Thiophenecarboxylic acid, 5-methoxy-4-nitro- (9CI)
2-Thiophenecarboxylicacid,5-methoxy-4-nitro-(9CI)
5-methoxy-4-nitrothiophene-2-carboxylic acid
MFCD18817138

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

Density: 1.6±0.1 g/cm3
Boiling Point: 425.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 211.3±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 44.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 127.3±3.0 cm3

Click to predict properties on the Chemicalize site


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