Found 1 result

Search term: PIAKILNRCYLDQL-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | MFCD00225649 | C18H17Cl3N4O5S

MFCD00225649

  • Molecular FormulaC18H17Cl3N4O5S
  • Average mass507.775 Da
  • Monoisotopic mass505.998535 Da
  • ChemSpider ID2347250

More details:

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

(2,2,2-Trichloro-1-{[(4-méthoxy-2-nitrophényl)carbamothioyl]amino}éthyl)carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl (2,2,2-trichloro-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)carbamate [ACD/IUPAC Name]
Benzyl-(2,2,2-trichlor-1-{[(4-methoxy-2-nitrophenyl)carbamothioyl]amino}ethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2,2,2-trichloro-1-[[[(4-methoxy-2-nitrophenyl)amino]thioxomethyl]amino]ethyl]-, phenylmethyl ester [ACD/Index Name]
MFCD00225649
(2,2,2-TRICHLORO-1-(3-(4-MEO-2-NITRO-PH)-THIOUREIDO)-ET)-CARBAMIC ACID BZL ESTER

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

BAS 00113838 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 122.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3221.36
ACD/KOC (pH 5.5): 11288.21
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3172.96
ACD/KOC (pH 7.4): 11118.60
Polar Surface Area: 150 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 332.1±3.0 cm3

Click to predict properties on the Chemicalize site


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