ChemSpider 2D Image | (2S)-3-Butyn-2-yl (3-chlorophenyl)carbamate | C11H10ClNO2

(2S)-3-Butyn-2-yl (3-chlorophenyl)carbamate

  • Molecular FormulaC11H10ClNO2
  • Average mass223.656 Da
  • Monoisotopic mass223.040009 Da
  • ChemSpider ID34985923

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Butin-2-yl-(3-chlorphenyl)carbamat [German] [ACD/IUPAC Name]
(2S)-3-Butyn-2-yl (3-chlorophenyl)carbamate [ACD/IUPAC Name]
(3-Chlorophényl)carbamate de (2S)-3-butyn-2-yle [French] [ACD/IUPAC Name]
(3-Chlorophenyl)carbamic acid, 1-methylethyl ester
101-21-3 [RN]
Carbamic acid, N-(3-chlorophenyl)-, (1S)-1-methyl-2-propyn-1-yl ester [ACD/Index Name]
CHLORBUFAM
Grisin
UNII-65W9D7691G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 270.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 117.1±23.2 °C
Index of Refraction: 1.590
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.46
ACD/KOC (pH 5.5): 1168.33
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.46
ACD/KOC (pH 7.4): 1168.32
Polar Surface Area: 38 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 174.5±3.0 cm3

Click to predict properties on the Chemicalize site


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