ChemSpider 2D Image | MFCD00428274 | C13H12N2O4S

MFCD00428274

  • Molecular FormulaC13H12N2O4S
  • Average mass292.310 Da
  • Monoisotopic mass292.051788 Da
  • ChemSpider ID21169712

More details:

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

2-Thiophenecarboxylic acid, 3-amino-5-(4-nitrophenyl)-, ethyl ester [ACD/Index Name]
3-Amino-5-(4-nitrophényl)-2-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
91077-00-8 [RN]
Ethyl 3-amino-5-(4-nitrophenyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl 3-amino-5-(4-nitrophenyl)thiophene-2-carboxylate
Ethyl-3-amino-5-(4-nitrophenyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
MFCD00428274
[91077-00-8] [RN]
3-Amino-5-(4-nitrophenyl)-thiophen-2-carbons??ure-ethylester
3-Amino-5-(4-nitrophenyl)-thiophen-2-carbonsäure-ethylester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

649392_ALDRICH [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 520.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.8±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.45
ACD/KOC (pH 5.5): 1644.79
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.46
ACD/KOC (pH 7.4): 1644.88
Polar Surface Area: 126 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 212.7±3.0 cm3

Click to predict properties on the Chemicalize site


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