2,3-DIFLUOROMANDELIC ACID

The 2,3-Difluoromandelic acid, with the CAS registry number 207974-19-4, is also known as (2,3-Difluorophenyl)(hydroxy)acetic acid. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C₈H₆F₂O₃ and molecular weight is 188.13. Its IUPAC name is called 2-(2,3-difluorophenyl)-2-hydroxyacetic acid.

Physical properties of 2,3-Difluoromandelic acid: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -2.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 38.89 cm³; (14)Molar Volume: 123.5 cm³; (15)Surface Tension: 54.2 dyne/cm; (16)Density: 1.522 g/cm³; (17)Flash Point: 143.3 °C; (18)Enthalpy of Vaporization: 58.53 kJ/mol; (19)Boiling Point: 313.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000213 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)F)F)C(C(=O)O)O
(2)InChI: InChI=1S/C8H6F2O3/c9-5-3-1-2-4(6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)
(3)InChIKey: LBJOAPZLJUKPRG-UHFFFAOYSA-N