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786593-22-4

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Basic Information
CAS No.: 786593-22-4
Name: 2-(Bromomethyl)benzoic acid
Molecular Structure:
Molecular Structure of 786593-22-4 (2-(Bromomethyl)benzoic acid)
Formula: C8H7BrO2
Molecular Weight: 215.04
Synonyms: Benzoic acid, 2-(bromomethyl)-;
Density: 1.635 g/cm3
Boiling Point: 317.1 °C at 760 mmHg
Flash Point: 145.6 °C
PSA: 37.30000
LogP: 2.27970
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Specification

The 2-(Bromomethyl)benzoic acid, with the CAS registry number of 786593-22-4, is also known as Benzoic acid, 2-(bromomethyl)-. This chemical's molecular formula is C8H7BrO2 and molecular weight is 215.04. What's more, its systematic name is 2-(Bromomethyl)benzoic acid.

Physical properties about the 2-(Bromomethyl)benzoic acid are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.28; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.614; (13)Molar Refractivity: 45.83 cm3; (14)Molar Volume: 131.4 cm3; (15)Surface Tension: 55.2 dyne/cm; (16)Density: 1.635 g/cm3; (17)Flash Point: 145.6 °C; (18)Enthalpy of Vaporization: 58.96 kJ/mol; (19)Boiling Point: 317.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000165 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:BrCc1ccccc1C(=O)O
(2) InChI:InChI=1/C8H7BrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)
(3) InChIKey:QSLMPDKYTNEMFQ-UHFFFAOYAB