Product Name

  • Name

    (4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone

  • EINECS
  • CAS No. 913955-36-9
  • Article Data2
  • CAS DataBase
  • Density 1.34 g/cm3
  • Solubility
  • Melting Point
  • Formula C17H11ClF3NO
  • Boiling Point 361.4 °C at 760 mmHg
  • Molecular Weight 337.72
  • Flash Point 172.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 913955-36-9 ((4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone)
  • Hazard Symbols
  • Synonyms 1H-Indole,1-(4-chlorobenzoyl)-3-methyl-2-(trifluoromethyl)- (9CI);methanone, (4-chlorophenyl)[3-methyl-2-(trifluoromethyl)-1H-indol-1-yl]-;
  • PSA 22.00000
  • LogP 5.31040

(4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone Specification

The (4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone, with the CAS registry number 913955-36-9, has the systematic name of methanone, (4-chlorophenyl)[3-methyl-2-(trifluoromethyl)-1H-indol-1-yl]-. And the molecular formula of the chemical is C17H11ClF3NO.

The characteristics of (4-Chlorophenyl)(3-methyl-2-(trifluoromethyl)-1H-indol-1-yl)methanone are as followings: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.47; (5)ACD/BCF (pH 5.5): 1481.71; (6)ACD/BCF (pH 7.4): 1481.71; (7)ACD/KOC (pH 5.5): 6474.86; (8)ACD/KOC (pH 7.4): 6474.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 82.61 cm3; (15)Molar Volume: 251.3 cm3; (16)Polarizability: 32.75×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 172.4 °C; (20)Enthalpy of Vaporization: 60.72 kJ/mol; (21)Boiling Point: 361.4 °C at 760 mmHg; (22)Vapour Pressure: 2.08E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1c2ccccc2n(c1C(F)(F)F)C(=O)c3ccc(cc3)Cl
(2)InChI: InChI=1/C17H11ClF3NO/c1-10-13-4-2-3-5-14(13)22(15(10)17(19,20)21)16(23)11-6-8-12(18)9-7-11/h2-9H,1H3
(3)InChIKey: FMSQINMBKNKLOU-UHFFFAOYAW

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