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133001-05-5

Basic Information
CAS No.: 133001-05-5
Name: Z-3-Chloro-1-(2-chlorophenyl)-2-(4-fluorophenyl)-propene
Article Data: 2
Molecular Structure:
Molecular Structure of 133001-05-5 (Z-3-Chloro-1-(2-chlorophenyl)-2-(4-fluorophenyl)-propene)
Formula: C15H11Cl2F
Molecular Weight: 281.157
Synonyms: Benzene,1-chloro-2-[3-chloro-2-(4-fluorophenyl)-1-propenyl]-, (Z)- (9CI);
EINECS: 603-692-8
Density: 1.278 g/cm3
Boiling Point: 366.48 °C at 760 mmHg
Flash Point: 203.671 °C
PSA: 0.00000
LogP: 5.25850
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Specification

The CAS register number of Z-3-Chloro-1-(2-chlorophenyl)-2-(4-fluorophenyl)-propene is 133001-05-5. It also can be called as Benzene,1-chloro-2-[(1Z)-3-chloro-2-(4-fluorophenyl)-1-propen-1-yl]- and the systematic name about this chemical is 1-chloro-2-[(1Z)-3-chloro-2-(4-fluorophenyl)prop-1-en-1-yl]benzene. The molecular formula about this chemical is C15H11Cl2F and molecular weight is 281.16.

Physical properties about Z-3-Chloro-1-(2-chlorophenyl)-2-(4-fluorophenyl)-propene are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1 ; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.613; (5)Molar Refractivity: 76.65 cm3; (6)Molar Volume: 220 cm3; (7)Polarizability: 30.39x10-24cm3; (8)Surface Tension: 43 dyne/cm; (9)Flash Point: 203.7 °C; (10)Enthalpy of Vaporization: 58.88 kJ/mol; (11)Boiling Point: 366.5 °C at 760 mmHg; (12)Vapour Pressure: 3.08E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccccc2/C=C(/c1ccc(F)cc1)CCl
(2)InChI: InChI=1/C15H11Cl2F/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-9H,10H2/b13-9+
(3)InChIKey: JSTUCVNHFRSOGR-UKTHLTGXBH
(4)Std. InChI: InChI=1S/C15H11Cl2F/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-9H,10H2/b13-9+
(5)Std. InChIKey: JSTUCVNHFRSOGR-UKTHLTGXSA-N