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34126-16-4

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Basic Information
CAS No.: 34126-16-4
Name: methyl 4-bromo-3,5-dihydroxy-benzoate
Article Data: 17
Molecular Structure:
Molecular Structure of 34126-16-4 (methyl 4-bromo-3,5-dihydroxy-benzoate)
Formula: C8H7BrO4
Molecular Weight: 247.045
Synonyms: a-Resorcylic acid, 4-bromo-, methyl ester (8CI);Methyl 4-bromo-3,5-dihydroxybenzoate;4-Bromo-3,5-dihydroxybenzoic acid, methyl ester;
Density: 1.759 g/cm3
Boiling Point: 384.4 °C at 760 mmHg
Flash Point: 186.3 °C
PSA: 66.76000
LogP: 1.64690
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Specification

The Benzoic acid,4-bromo-3,5-dihydroxy-, methyl ester, with the CAS registry number 34126-16-4, is also known as 4-Bromo-3,5-dihydroxybenzoic acid, methyl ester. This chemical's molecular formula is C8H7BrO4 and molecular weight is 247.04. What's more, its systematic name is Methyl 4-bromo-3,5-dihydroxybenzoate.

Physical properties of Benzoic acid,4-bromo-3,5-dihydroxy-, methyl ester are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 75.07; (6)ACD/BCF (pH 7.4): 24.69; (7)ACD/KOC (pH 5.5): 760.35; (8)ACD/KOC (pH 7.4): 250.09; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 49.47 cm3; (15)Molar Volume: 140.3 cm3; (16)Polarizability: 19.61×10-24 cm3; (17)Surface Tension: 61.2 dyne/cm; (18)Density: 1.759 g/cm3; (19)Flash Point: 186.3 °C; (20)Enthalpy of Vaporization: 65.78 kJ/mol; (21)Boiling Point: 384.4 °C at 760 mmHg; (22)Vapour Pressure: 1.85E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(O)cc(C(=O)OC)cc1O
(2)InChI: InChI=1/C8H7BrO4/c1-13-8(12)4-2-5(10)7(9)6(11)3-4/h2-3,10-11H,1H3
(3)InChIKey: UXSHRKILYILVSD-UHFFFAOYSA-N