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Name |
2-Propen-1-one, 1-(4-bromophenyl)-3-(2-chlorophenyl)-, (2E)- |
EINECS | N/A |
CAS No. | 86293-48-3 | Density | 1.475 g/cm3 |
PSA | 17.07000 | LogP | 4.99860 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H10BrClO | Boiling Point | 432.2 °C at 760 mmHg |
Molecular Weight | 321.601 | Flash Point | 215.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Chalcone, 4'-bromo-2-chloro- (6CI);(2E)-1-(4-Bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one;4'-Bromo-2-chlorochalcone; |
Article Data | 2 |
The 2-Propen-1-one, 1-(4-bromophenyl)-3-(2-chlorophenyl)-, (2E)-, with the CAS registry number 86293-48-3, is also known as 4'-Bromo-2-chlorochalcone. This chemical's molecular formula is C15H10BrClO and molecular weight is 321.6. What's more, its systematic name is (2E)-1-(4-bromophenyl)-3-(2-chlorophenyl)prop-2-en-1-one.
Physical properties of 2-Propen-1-one, 1-(4-bromophenyl)-3-(2-chlorophenyl)-, (2E)- are: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.33; (4)ACD/LogD (pH 7.4): 5.33; (5)ACD/BCF (pH 5.5): 6646.86; (6)ACD/BCF (pH 7.4): 6646.86; (7)ACD/KOC (pH 5.5): 18959.21; (8)CD/KOC (pH 7.4): 18959.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 79.69 cm3; (15)Molar Volume: 217.9 cm3; (16)Polarizability: 31.59×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 215.2 °C; (20)Enthalpy of Vaporization: 68.79 kJ/mol; (21)Boiling Point: 432.2 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)\C=C\c2ccccc2Cl
(2)InChI: InChI=1S/C15H10BrClO/c16-13-8-5-12(6-9-13)15(18)10-7-11-3-1-2-4-14(11)17/h1-10H/b10-7+
(3)InChIKey: BEAOMTXVYPADSY-JXMROGBWSA-N