ChemSpider 2D Image | (-)-indoxacarb | C22H17ClF3N3O7

(-)-indoxacarb

  • Molecular FormulaC22H17ClF3N3O7
  • Average mass527.834 Da
  • Monoisotopic mass527.070740 Da
  • ChemSpider ID11677297

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-indoxacarb
(4aR)-7-Chloro-2-{(méthoxycarbonyl)[4-(trifluorométhoxy)phényl]carbamoyl}-2,5-dihydroindéno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate de méthyle [French] [ACD/IUPAC Name]
(R)-Indoxacarb
185608-75-7 [RN]
8366684 [Beilstein]
Indeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylic acid, 7-chloro-2,5-dihydro-2-[[(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]amino]carbonyl]-, methyl ester, (4aR)- [ACD/Index Name]
Methyl (4aR)-7-chloro-2-{(methoxycarbonyl)[4-(trifluoromethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a(3H)-carboxylate [ACD/IUPAC Name]
Methyl-(4aR)-7-chlor-2-{(methoxycarbonyl)[4-(trifluormethoxy)phenyl]carbamoyl}-2,5-dihydroindeno[1,2-e][1,3,4]oxadiazin-4a(3H)-carboxylat [German] [ACD/IUPAC Name]
T B656 CNN FO BUTT&J DVNVO1&R DOXFFF& GVO1 KG &&R Form [WLN]
(4aR)-2-[carbomethoxy-[4-(trifluoromethoxy)phenyl]carbamoyl]-7-chloro-3,5-dihydroindeno[3,2-e][1,3,4]oxadiazine-4a-carboxylic acid methyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

610LV0BX3Y [DBID]
UNII:610LV0BX3Y [DBID]
UNII-610LV0BX3Y [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: 571.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.3±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 378.74
ACD/KOC (pH 5.5): 2438.84
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 378.74
ACD/KOC (pH 7.4): 2438.84
Polar Surface Area: 107 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 343.3±7.0 cm3

Click to predict properties on the Chemicalize site


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