Products Categories
CAS No.: | 1000890-01-6 |
---|---|
Name: | (E)-2-Acetoxy-2’-bromo-5’-chlorostilbene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C16H12BrClO2 |
Molecular Weight: | 351.627 |
Synonyms: | [2-[(E)-2-(2-Bromo-5-chloro-phenyl)vinyl]phenyl] acetate; |
Density: | 1.475 g/cm3 |
Boiling Point: | 440.519 °C at 760 mmHg |
Flash Point: | 220.218 °C |
PSA: | 26.30000 |
LogP: | 5.19820 |
What can I do for you?
Get Best Price
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