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CAS No.: | 394698-73-8 |
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Name: | (E)-1-(2-Bromovinyl)-2-methylbenzene |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H9Br |
Molecular Weight: | 197.074 |
Synonyms: | 1-((E)-2-Bromo-vinyl)-2-methyl-benzene; |
Density: | 1.374 g/cm3 |
Boiling Point: | 236.4 °C at 760 mmHg |
Flash Point: | 109 °C |
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The (E)-1-(2-Bromovinyl)-2-methylbenzene, with the CAS registry number of 394698-73-8, is also known as 1-((E)-2-Bromo-vinyl)-2-methyl-benzene. This chemical's molecular formula is C9H9Br and molecular weight is 197.07176.
Physical properties about (E)-1-(2-Bromovinyl)-2-methylbenzene are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.615; (9)Molar Refractivity: 50.06 cm3; (10)Molar Volume: 143.3 cm3; (11)Polarizability: 19.84×10-24 cm3; (12)Surface Tension: 39.8 dyne/cm; (13)Density: 1.374 g/cm3; (14)Flash Point: 109 °C; (15)Enthalpy of Vaporization: 45.4 kJ/mol; (16)Boiling Point: 236.4 °C at 760 mmHg; (17)Vapour Pressure: 0.0729 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccccc1C=CBr
(2) InChI: InChI=1/C9H9Br/c1-8-4-2-3-5-9(8)6-7-10/h2-7H,1H3/b7-6+
(3) InChIKey: JMWRLLGTPODZBM-VOTSOKGWBL