VX 702 supplier | CasNO.479543-46-9

Name
VX-702
EINECS
CAS No. 479543-46-9
Article Data2
CAS DataBase
Density 1.503 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₂F₄N₄O₂
Boiling Point 555.2 °C at 760 mmHg
Molecular Weight 404.32
Flash Point 289.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms VX 702
PSA 102.31000
LogP 5.02130

VX 702 Specification

This chemical is called VX 702, and its systematic name is 6-[Carbamoyl(2,6-difluorophenyl)amino]-2-(2,4-difluorophenyl)nicotinamide. With the molecular formula of C₁₉H₁₂F₄N₄O₂, its molecular weight is 404.32. The CAS registry number of this chemical is 479543-46-9.

Other characteristics of the VX 702 can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.66; (6)ACD/BCF (pH 7.4): 4.62; (7)ACD/KOC (pH 5.5): 104.67; (8)ACD/KOC (pH 7.4): 103.73; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 56.75 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 95.48 cm³; (15)Molar Volume: 268.8 cm³; (16)Polarizability: 37.85×10^-24cm³; (17)Surface Tension: 60 dyne/cm; (18)Density: 1.503 g/cm³; (19)Flash Point: 289.6 °C; (20)Enthalpy of Vaporization: 83.65 kJ/mol; (21)Boiling Point: 555.2 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N(c1nc(c(cc1)C(=O)N)c2ccc(F)cc2F)c3c(F)cccc3F)N
2.InChI: InChI=1/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
3.InChIKey: FYSRKRZDBHOFAY-UHFFFAOYAZ

Product Name

VX-702

VX 702 Specification

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