Found 38 results

Search term: MF = 'C_{21}H_{16}Br_{2}N_{2}O_{2}S'
ChemSpider 2D Image | (3S)-3,5-Bis(4-bromophenyl)-2-(phenylsulfonyl)-2,3-dihydro-1H-pyrazole | C21H16Br2N2O2S

(3S)-3,5-Bis(4-bromophenyl)-2-(phenylsulfonyl)-2,3-dihydro-1H-pyrazole

  • Molecular FormulaC21H16Br2N2O2S
  • Average mass520.237 Da
  • Monoisotopic mass517.929932 Da
  • ChemSpider ID1505057

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,5-Bis(4-bromophenyl)-2-(phenylsulfonyl)-2,3-dihydro-1H-pyrazole [ACD/IUPAC Name]
(3S)-3,5-Bis(4-bromophényl)-2-(phénylsulfonyl)-2,3-dihydro-1H-pyrazole [French] [ACD/IUPAC Name]
(3S)-3,5-Bis(4-bromphenyl)-2-(phenylsulfonyl)-2,3-dihydro-1H-pyrazol [German] [ACD/IUPAC Name]
1H-Pyrazole, 3,5-bis(4-bromophenyl)-2,5-dihydro-1-(phenylsulfonyl)-, (5S)- [ACD/Index Name]

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

ZINC02365266 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 610.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.0±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11668.03
ACD/KOC (pH 5.5): 28362.56
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11668.04
ACD/KOC (pH 7.4): 28362.59
Polar Surface Area: 58 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 315.1±3.0 cm3

Click to predict properties on the Chemicalize site


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