ChemSpider 2D Image | 4-Bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]-2-thiophenecarboxylic acid | C19H20BrNO5S

4-Bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]-2-thiophenecarboxylic acid

  • Molecular FormulaC19H20BrNO5S
  • Average mass454.335 Da
  • Monoisotopic mass453.024536 Da
  • ChemSpider ID22376100

More details:

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

2-Thiophenecarboxylic acid, 4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]- [ACD/Index Name]
4-Brom-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
4-bromo-3-(carboxymethoxy)-5-[3-(cyclohexylamino)phenyl]thiophene-2-carboxylic acid
Acide 4-bromo-3-(carboxyméthoxy)-5-[3-(cyclohexylamino)phényl]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
4-bromo-3-carboxymethoxy-5-(3-cyclohexylaminophenyl)thiophene-2-carboxylic acid
CHEMBL243940

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

024 [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: 640.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.2±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 290.0±3.0 cm3

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