Found 64 results

Search term: MF = 'C_{22}H_{18}Br_{2}N_{2}O_{2}S'
ChemSpider 2D Image | (3R)-3,5-Bis(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-pyrazole | C22H18Br2N2O2S

(3R)-3,5-Bis(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-pyrazole

  • Molecular FormulaC22H18Br2N2O2S
  • Average mass534.263 Da
  • Monoisotopic mass531.945557 Da
  • ChemSpider ID1479164

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

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

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

ZINC02308896 [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: 616.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.7±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20582.56
ACD/KOC (pH 5.5): 42578.37
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20582.59
ACD/KOC (pH 7.4): 42578.41
Polar Surface Area: 58 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 331.4±3.0 cm3

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