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Basic Information
CAS No.: 107408-16-2
Name: 3-(2-BROMO-PHENYL)-PROPIONALDEHYDE
Molecular Structure:
Molecular Structure of 107408-16-2 (3-(2-BROMO-PHENYL)-PROPIONALDEHYDE)
Formula: C9H9BrO
Molecular Weight: 213.074
Synonyms: 2-Bromobenzenepropanal;3-(2-Bromophenyl)propanal;3-(2-Bromophenyl)propionaldehyde;
Density: 1.399 g/cm3
Boiling Point: 262.983 °C at 760 mmHg
Flash Point: 73.92 °C
PSA: 17.07000
LogP: 2.58060
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Specification

The 3-(2-Bromophenyl)propionaldehyde, with the CAS registry number 107408-16-2, is also known as Benzenepropanal, 2-bromo-. This chemical's molecular formula is C9H9BrO and molecular weight is 213.07. Its systematic name is called 3-(2-bromophenyl)propanal.

Physical properties of 3-(2-Bromophenyl)propionaldehyde: (1)ACD/LogP: 2.55; (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): 80; (6)ACD/BCF (pH 7.4): 80; (7)ACD/KOC (pH 5.5): 802; (8)ACD/KOC (pH 7.4): 802; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 48.312 cm3; (13)Molar Volume: 152.261 cm3; (14)Surface Tension: 40.048 dyne/cm; (15)Density: 1.399 g/cm3; (16)Flash Point: 73.92 °C; (17)Enthalpy of Vaporization: 50.079 kJ/mol; (18)Boiling Point: 262.983 °C at 760 mmHg; (19)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1CCC=O
(2)InChI: InChI=1/C9H9BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6-7H,3,5H2
(3)InChIKey: LZYQKMVDCBFOOX-UHFFFAOYAU