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CAS No.: | 786593-22-4 |
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Name: | 2-(Bromomethyl)benzoic acid |
Molecular Structure: | |
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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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