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162320-67-4

Basic Information
CAS No.: 162320-67-4
Name: FLUFENZINE
Molecular Structure:
Molecular Structure of 162320-67-4 (FLUFENZINE)
Formula: C14H7ClF2N4
Molecular Weight: 304.682
Synonyms: Diflovidazin;Flufenzin;Flufenzine;Flumite 200;SZI 121;
EINECS: 200-258-5
Density: 1.428g/cm3
Melting Point: 188 °C
Boiling Point: 471 °C at 760 mmHg
Flash Point: 238.6 °C
Hazard Symbols: Xn,N
Risk Codes: 22-36-50/53
Safety: 26-60-61
PSA: 51.56000
LogP: 3.53220
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Specification

The 1,2,4,5-Tetrazine,3-(2-chlorophenyl)-6-(2,6-difluorophenyl)-, with CAS registry number 162320-67-4, has the systematic name of 3-(2-chlorophenyl)-6-(2,6-difluorophenyl)-1,2,4,5-tetrazine. Besides this, it is also called Flufenzine. And the chemical formula of this chemical is C14H7ClF2N4.

Physical properties of 1,2,4,5-Tetrazine,3-(2-chlorophenyl)-6-(2,6-difluorophenyl)-: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 38.67; (6)ACD/BCF (pH 7.4): 38.67; (7)ACD/KOC (pH 5.5): 476.25; (8)ACD/KOC (pH 7.4): 476.25; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.56 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 72.68 cm3; (15)Molar Volume: 213.2 cm3; (16)Polarizability: 28.81×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.428 g/cm3; (19)Flash Point: 238.6 °C; (20)Enthalpy of Vaporization: 70.56 kJ/mol; (21)Boiling Point: 471 °C at 760 mmHg; (22)Vapour Pressure: 1.37E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccccc3c1nnc(nn1)c2c(F)cccc2F
(2)InChI: InChI=1/C14H7ClF2N4/c15-9-5-2-1-4-8(9)13-18-20-14(21-19-13)12-10(16)6-3-7-11(12)17/h1-7H
(3)InChIKey: SWBHWUYHHJCADA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H7ClF2N4/c15-9-5-2-1-4-8(9)13-18-20-14(21-19-13)12-10(16)6-3-7-11(12)17/h1-7H
(5)Std. InChIKey: SWBHWUYHHJCADA-UHFFFAOYSA-N