Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(E)-2-Acetoxy-2'-bromo-5'-chlorostilbene |
EINECS | N/A |
CAS No. | 1000890-01-6 | Density | 1.475 g/cm3 |
PSA | 26.30000 | LogP | 5.19820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H12BrClO2 | Boiling Point | 440.519 °C at 760 mmHg |
Molecular Weight | 351.627 | Flash Point | 220.218 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
[2-[(E)-2-(2-Bromo-5-chloro-phenyl)vinyl]phenyl] acetate; |
Article Data | 2 |
The (E)-2-Acetoxy-2'-bromo-5'-chlorostilbene has the CAS registry number 1000890-01-6. This chemical's molecular formula is C16H12BrClO2 and molecular weight is 351.62. What's more, its systematic name is [2-[(E)-2-(2-Bromo-5-chloro-phenyl)vinyl]phenyl] acetate.
Physical properties of (E)-2-Acetoxy-2'-bromo-5'-chlorostilbene are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.829; (4)ACD/LogD (pH 7.4): 4.829; (5)ACD/BCF (pH 5.5): 2756.633; (6)ACD/BCF (pH 7.4): 2756.633; (7)ACD/KOC (pH 5.5): 10097.609; (8)ACD/KOC (pH 7.4): 10097.609; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 87.573 cm3; (15)Molar Volume: 238.405 cm3; (16)Polarizability: 34.717×10-24 cm3; (17)Surface Tension: 48.715 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 220.218 °C; (20)Enthalpy of Vaporization: 69.766 kJ/mol; (21)Boiling Point: 440.519 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Oc1ccccc1/C=C/c2cc(ccc2Br)Cl
(2)InChI: InChI=1/C16H12BrClO2/c1-11(19)20-16-5-3-2-4-12(16)6-7-13-10-14(18)8-9-15(13)17/h2-10H,1H3/b7-6+
(3)InChIKey: HLFSLKCOGBEHAK-VOTSOKGWSA-N