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262450-64-6

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Basic Information
CAS No.: 262450-64-6
Name: (3-broMo-5-Methoxyphenyl)Methanol
Article Data: 9
Molecular Structure:
Molecular Structure of 262450-64-6 ((3-broMo-5-Methoxyphenyl)Methanol)
Formula: C8H9BrO2
Molecular Weight: 217.062
Synonyms: 3-Bromo-5-methoxyphenylmethanol;
EINECS: 812-850-7
Density: 1.513 g/cm3
Boiling Point: 304.547 °C at 760 mmHg
Flash Point: 137.985 °C
PSA: 29.46000
LogP: 1.95000
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Specification

The Benzenemethanol, 3-bromo-5-methoxy- has CAS registry number 262450-64-6. This chemical's molecular formula is C8H9BrO2 and molecular weight is 217.0599. What's more, its systematic name is (3-Bromo-5-methoxyphenyl)methanol.

Physical properties about Benzenemethanol, 3-bromo-5-methoxy- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 239; (8)ACD/KOC (pH 7.4): 239; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 47.073 cm3; (15)Molar Volume: 143.437 cm3; (16)Polarizability: 18.661×10-24 cm3; (17)Surface Tension: 43.317 dyne/cm; (18)Density: 1.513 g/cm3; (19)Flash Point: 137.985 °C; (20)Enthalpy of Vaporization: 57.54 kJ/mol; (21)Boiling Point: 304.547 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(cc(OC)c1)CO
(2) InChI: InChI=1/C8H9BrO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3
(3) InChIKey: PPWBDINRNWYVFZ-UHFFFAOYAF