Basic Information | Post buying leads | Suppliers |
Name |
3-Cyano-4-trifluoromethyl-6-(4'-bromophenyl)pyridine-2-one |
EINECS | N/A |
CAS No. | 32801-22-2 | Density | 1.71 g/cm3 |
PSA | 56.65000 | LogP | 3.69488 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H6BrF3N2O | Boiling Point | 418.4 °C at 760 mmHg |
Molecular Weight | 343.10 | Flash Point | 206.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Cyano-4-trifluoromethyl-6-(4'-Bromophenyl)-pyridine-2-one; |
This chemical is called 3-Cyano-4-trifluoromethyl-6-(4'-bromophenyl)pyridine-2-one, and its systematic name is 6-(4-bromophenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile. With the molecular formula of C13H6BrF3N2O, its molecular weight is 343.10. In addition, the CAS registry number of this chemical is 32801-22-2.
Other characteristics of the 3-Cyano-4-trifluoromethyl-6-(4'-bromophenyl)pyridine-2-one can be summarised as followings: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 2.4; (5)ACD/BCF (pH 5.5): 128; (6)ACD/BCF (pH 7.4): 26.54; (7)ACD/KOC (pH 5.5): 1105.36; (8)ACD/KOC (pH 7.4): 229.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 68.05 cm3; (15)Molar Volume: 199.6 cm3; (16)Polarizability: 26.97×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.71 g/cm3; (19)Flash Point: 206.8 °C; (20)Enthalpy of Vaporization: 67.19 kJ/mol; (21)Boiling Point: 418.4 °C at 760 mmHg; (22)Vapour Pressure: 3.3E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C2=C(\C=C(\c1ccc(Br)cc1)NC2=O)C(F)(F)F
(2)InChI: InChI=1/C13H6BrF3N2O/c14-8-3-1-7(2-4-8)11-5-10(13(15,16)17)9(6-18)12(20)19-11/h1-5H,(H,19,20)
(3)InChIKey: UBDNMEINEIKIDK-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H6BrF3N2O/c14-8-3-1-7(2-4-8)11-5-10(13(15,16)17)9(6-18)12(20)19-11/h1-5H,(H,19,20)
(5)Std. InChIKey: UBDNMEINEIKIDK-UHFFFAOYSA-N