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Search term: OB(O)CNS(=O)(=O)CCl (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | ({[(Chloromethyl)sulfonyl]amino}methyl)boronic acid | C2H7BClNO4S

({[(Chloromethyl)sulfonyl]amino}methyl)boronic acid

  • Molecular FormulaC2H7BClNO4S
  • Average mass187.410 Da
  • Monoisotopic mass186.987732 Da
  • ChemSpider ID35033414

More details:

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

({[(Chlormethyl)sulfonyl]amino}methyl)borsäure [German] [ACD/IUPAC Name]
({[(Chloromethyl)sulfonyl]amino}methyl)boronic acid [ACD/IUPAC Name]
Acide ({[(chlorométhyl)sulfonyl]amino}méthyl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[[[(chloromethyl)sulfonyl]amino]methyl]- [ACD/Index Name]
1420984-07-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 387.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 188.1±30.7 °C
Index of Refraction: 1.499
Molar Refractivity: 35.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.70
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.67
Polar Surface Area: 95 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 119.7±3.0 cm3

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