ChemSpider 2D Image | 4-Nitro-1,3-benzothiazol-2(3H)-one | C7H4N2O3S

4-Nitro-1,3-benzothiazol-2(3H)-one

  • Molecular FormulaC7H4N2O3S
  • Average mass196.183 Da
  • Monoisotopic mass195.994263 Da
  • ChemSpider ID24005931

More details:

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

109493-09-6 [RN]
2(3H)-Benzothiazolone, 4-nitro- [ACD/Index Name]
2(3H)-Benzothiazolone,4-nitro-(9CI)
4-Nitro-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
4-Nitro-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
4-Nitro-1,3-benzothiazol-2(3H)-one [French] [ACD/IUPAC Name]
2(3H)-Benzothiazolone, 4-nitro- (9CI)
2(3H)-Benzothiazolone,4-nitro-
4-Nitro-2(3H)-benzothiazolone
4-nitrobenzo[d]thiazol-2(3H)-one
  • Miscellaneous

    • Safety:

      H302+H312+H332 W&J PharmaChem, Inc. [203181]
      P302+P352+P304+P312+P503+P351+P338+P403+P235+P280+P260 W&J PharmaChem, Inc. [203181]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.92
ACD/KOC (pH 5.5): 192.65
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.41
ACD/KOC (pH 7.4): 183.65
Polar Surface Area: 100 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 122.4±3.0 cm3

Click to predict properties on the Chemicalize site


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