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Molecule structure of 5-Bromo-2-iodobenzaldehyde (CAS NO.689291-89-2):
IUPAC Name: 5-Bromo-2-iodobenzaldehyde
Molecular Weight: 310.91453 [g/mol]
Molecular Formula: C7H4BrIO
Index of Refraction: 1.696
Molar Refractivity: 53.603 cm3
Molar Volume: 139.357 cm3
Surface Tension: 54.382 dyne/cm
Density: 2.231 g/cm3
Melting Point: 89-90 °C
Flash Point: 142.585 °C
Enthalpy of Vaporization: 55.312 kJ/mol
Boiling Point: 312.152 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 309.84902
MonoIsotopic Mass: 309.84902
Topological Polar Surface Area: 17.1
Heavy Atom Count: 10
Canonical SMILES: C1=CC(=C(C=C1Br)C=O)I
InChI: InChI=1S/C7H4BrIO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKey of 5-Bromo-2-iodobenzaldehyde (CAS NO.689291-89-2): MOELYMOGQIDKNW-UHFFFAOYSA-N
5-Bromo-2-iodobenzaldehyde (CAS NO.689291-89-2) is also named as Benzaldehyde, 5-bromo-2-iodo- .