ChemSpider 2D Image | (2S)-3-(4-Chlorophenoxy)-2-hydroxypropyl carbamate | C10H12ClNO4

(2S)-3-(4-Chlorophenoxy)-2-hydroxypropyl carbamate

  • Molecular FormulaC10H12ClNO4
  • Average mass245.660 Da
  • Monoisotopic mass245.045486 Da
  • ChemSpider ID32796753
  • defined stereocentres - 1 of 1 defined stereocentres


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

(2S)-3-(4-Chlorophenoxy)-2-hydroxypropyl carbamate [ACD/IUPAC Name]
(2S)-3-(4-Chlorphenoxy)-2-hydroxypropylcarbamat [German] [ACD/IUPAC Name]
1,2-Propanediol, 3-(4-chlorophenoxy)-, 1-carbamate, (2S)- [ACD/Index Name]
Carbamate de (2S)-3-(4-chlorophénoxy)-2-hydroxypropyle [French] [ACD/IUPAC Name]
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
[(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl] carbamate
212-954-7 [EINECS]
886-74-8 [RN]
carbamic acid [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] ester
carbamic acid [(2R)-3-(4-chlorophenoxy)-2-hydroxy-propyl] ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCGC00016548-01 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 481.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 245.2±27.3 °C
Index of Refraction: 1.564
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.86
ACD/KOC (pH 5.5): 123.36
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.86
ACD/KOC (pH 7.4): 123.35
Polar Surface Area: 82 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 179.9±3.0 cm3

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