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223557-24-2

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Basic Information
CAS No.: 223557-24-2
Name: 2-Bromofuran-3-carboxaldehyde
Molecular Structure:
Molecular Structure of 223557-24-2 (2-Bromofuran-3-carboxaldehyde)
Formula: C5H3BrO2
Molecular Weight: 174.98012
Synonyms: 2-Bromofuran-3-carboxaldehyde;2-bromo-3-furaldehyde;2-Bromofuran-3-carboxaldehyde 97%;2-Bromo-3-furaldehyde 97%
Density: 1.748 g/cm3
Boiling Point: 190.947 °C at 760 mmHg
Flash Point: 69.283 °C
PSA: 30.21000
LogP: 1.85460
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Specification

The 3-Furancarboxaldehyde,2-bromo-, with the CAS registry number of 223557-24-2, is also known as 2-Bromo-3-furaldehyde 97%. This chemical's molecular formula is C5H3BrO2 and molecular weight is 174.98012. What's more, its systematic name is 2-Bromofuran-3-carbaldehyde.

Physical properties about the 3-Furancarboxaldehyde,2-bromo- are: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 154; (7)ACD/KOC (pH 7.4): 154; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 30.21 Å2; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 32.996 cm3; (14)Molar Volume: 100.079 cm3; (15)Surface Tension: 43.357 dyne/cm; (16)Density: 1.748 g/cm3; (17)Flash Point: 69.283 °C; (18)Enthalpy of Vaporization: 42.715 kJ/mol; (19)Boiling Point: 190.947 °C at 760 mmHg; (20)Vapour Pressure: 0.528 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccoc1Br
(2) InChI: InChI=1/C5H3BrO2/c6-5-4(3-7)1-2-8-5/h1-3H
(3) InChIKey: XITDMCVJWXMMCQ-UHFFFAOYAP