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57295-31-5

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Basic Information
CAS No.: 57295-31-5
Name: 2-Bromo-5-hydroxy-4-methylbenzaldehyde
Molecular Structure:
Molecular Structure of 57295-31-5 (2-Bromo-5-hydroxy-4-methylbenzaldehyde)
Formula: C8H7BrO2
Molecular Weight: 215.04
Synonyms: Benzaldehyde, 2-bromo-5-hydroxy-4-methyl-;
Density: 1.629 g/cm3
Boiling Point: 298 °C at 760 mmHg
Flash Point: 134 °C
PSA: 37.30000
LogP: 2.27560
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Specification

The 2-Bromo-5-hydroxy-4-methylbenzaldehyde, with the CAS registry number 57295-31-5, is also known as Benzaldehyde, 2-bromo-5-hydroxy-4-methyl-. This chemical's molecular formula is C8H7BrO2 and molecular weight is 215.04. What's more, its systematic name is 2-Bromo-5-hydroxy-4-methylbenzaldehyde.

Physical properties about 2-Bromo-5-hydroxy-4-methylbenzaldehyde are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 73.13; (6)ACD/BCF (pH 7.4): 71.5; (7)ACD/KOC (pH 5.5): 751.41; (8)ACD/KOC (pH 7.4): 734.7; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 47.4 cm3; (15)Molar Volume: 131.9 cm3; (16)Polarizability: 18.79×10-24 cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.629 g/cm3; (19)Flash Point: 134 °C; (20)Enthalpy of Vaporization: 55.94 kJ/mol; (21)Boiling Point: 298 °C at 760 mmHg; (22)Vapour Pressure: 0.000735 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(O)c(C)cc1Br
(2) InChI: InChI=1/C8H7BrO2/c1-5-2-7(9)6(4-10)3-8(5)11/h2-4,11H,1H3
(3) InChIKey: PTADUWLAIGTDNR-UHFFFAOYAP