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60655-80-3

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Basic Information
CAS No.: 60655-80-3
Name: (E)-1-(2-Bromovinyl)-4-methylbenzene
Article Data: 64
Molecular Structure:
Molecular Structure of 60655-80-3 ((E)-1-(2-Bromovinyl)-4-methylbenzene)
Formula: C9H9Br
Molecular Weight: 197.074
Synonyms: 1-[(E)-2-Bromoethenyl]-4-methylbenzene;
Density: 1.375 g/cm3
Boiling Point: 242.798 °C at 760 mmHg
Flash Point: 113.128 °C
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Specification

The (E)-1-(2-Bromovinyl)-4-methylbenzene has CAS registry number 60655-80-3. This chemical's molecular formula is C9H9Br and molecular weight is 197.0718. What's more, its systematic name is 1-[(E)-2-Bromoethenyl]-4-methylbenzene.

Physical properties about (E)-1-(2-Bromovinyl)-4-methylbenzene are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 246; (6)ACD/BCF (pH 7.4): 246; (7)ACD/KOC (pH 5.5): 1792; (8)ACD/KOC (pH 7.4): 1792; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 50.066 cm3; (15)Molar Volume: 143.359 cm3; (16)Polarizability: 19.848×10-24 cm3; (17)Surface Tension: 39.868 dyne/cm; (18)Density: 1.375 g/cm3; (19)Flash Point: 113.128 °C; (20)Enthalpy of Vaporization: 46.035 kJ/mol; (21)Boiling Point: 242.798 °C at 760 mmHg; (22)Vapour Pressure: 0.052 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Br\C=C\c1ccc(cc1)C
(2) InChI: InChI=1/C9H9Br/c1-8-2-4-9(5-3-8)6-7-10/h2-7H,1H3/b7-6+
(3) InChIKey: VDQOXWRCEPPGRE-VOTSOKGWBT