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Name |
VX 702 |
EINECS | N/A |
CAS No. | 479543-46-9 | Density | 1.503 g/cm3 |
PSA | 102.31000 | LogP | 5.02130 |
Solubility | N/A | Melting Point |
N/A |
Formula | C19H12F4N4O2 | Boiling Point | 555.2 °C at 760 mmHg |
Molecular Weight | 404.32 | Flash Point | 289.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
VX 702 |
Article Data | 2 |
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