The 2-(2-Bromoethyl)benzaldehyde, with the CAS registry number 22901-09-3, is also known as o-(2-Bromoethyl)benzaldehyde. This chemical's molecular formula is C9H9BrO and molecular weight is 213.07. Its IUPAC name is called 2-(2-bromoethyl)benzaldehyde.
Physical properties of 2-(2-Bromoethyl)benzaldehyde: (1)ACD/LogP: 2.60; (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): 55; (6)ACD/BCF (pH 7.4): 55; (7)ACD/KOC (pH 5.5): 616; (8)ACD/KOC (pH 7.4): 616; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 50.287 cm3; (14)Molar Volume: 147.098 cm3; (15)Surface Tension: 45.037 dyne/cm; (16)Density: 1.448 g/cm3; (17)Flash Point: 81.557 °C; (18)Enthalpy of Vaporization: 51.21 kJ/mol; (19)Boiling Point: 273.74 °C at 760 mmHg; (20)Vapour Pressure: 0.006 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)CCBr)C=O
(2)InChI: InChI=1S/C9H9BrO/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4,7H,5-6H2
(3)InChIKey: PHDOYZATHWYOJK-UHFFFAOYSA-N
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