ChemSpider 2D Image | BMS-347070 | C18H15BrO4S

BMS-347070

  • Molecular FormulaC18H15BrO4S
  • Average mass407.278 Da
  • Monoisotopic mass405.987427 Da
  • ChemSpider ID32697500

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-{(4-Bromophenyl)[4-(methylsulfonyl)phenyl]methylene}dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3Z)-3-{(4-Bromophényl)[4-(méthylsulfonyl)phényl]méthylène}dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
(3Z)-3-{(4-Bromphenyl)[4-(methylsulfonyl)phenyl]methylen}dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
197438-73-6 [RN]
2(3H)-Furanone, 3-[(4-bromophenyl)[4-(methylsulfonyl)phenyl]methylene]dihydro-, (3Z)- [ACD/Index Name]
BMS-347070
(3Z)-3-[(4-bromophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one
2(3H)-Furanone, 3-((4-bromophenyl)(4-(methylsulfonyl)phenyl)methylene)dihydro-, (Z)-

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

0CKM4H090C [DBID]
UNII:0CKM4H090C [DBID]
UNII-0CKM4H090C [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 629.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.4±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 386.98
ACD/KOC (pH 5.5): 2476.67
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 386.98
ACD/KOC (pH 7.4): 2476.67
Polar Surface Area: 69 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 268.5±3.0 cm3

Click to predict properties on the Chemicalize site


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