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1211596-29-0

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Basic Information
CAS No.: 1211596-29-0
Name: 3,5-Difluoro-4-(hydroxymethyl)benzoicacid
Molecular Structure:
Molecular Structure of 1211596-29-0 (3,5-Difluoro-4-(hydroxymethyl)benzoicacid)
Formula: C8H6F2O3
Molecular Weight: 188.13
Synonyms: 3,5-Difluoro-4-(hydroxymethyl)benzoicacid
EINECS: 604-604-1
Density: 1.514 g/cm
Boiling Point: 329.3 °C at 760 mmHg
Flash Point: 153 °C
PSA: 57.53000
LogP: 1.15530
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Specification

The IUPAC name of this chemical is 3,5-Difluoro-4-(hydroxymethyl)benzoicacid. With the CAS registry number 1211596-29-0, it is also named as Benzoic acid, 3,5-difluoro-4-(hydroxymethyl)-. In addition, the molecular formula is C8H6F2O3 and the molecular weight is 188.13.

Physical properties about 3,5-Difluoro-4-(hydroxymethyl)benzoicacid are: (1)ACD/LogP: 1.29 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.14; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 57.53 Å2; (10)Index of Refraction: 1.55; (11)Molar Refractivity: 39.62 cm3; (12)Molar Volume: 124.1 cm3; (13)Polarizability: 15.7 ×10-24cm3; (14)Surface Tension: 54.3 dyne/cm; (15)Density: 1.514 g/cm3; (16)Flash Point: 153 °C; (17)Enthalpy of Vaporization: 60.36 kJ/mol; (18)Boiling Point: 329.3 °C at 760 mmHg; (19)Vapour Pressure: 7.18E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c(c1F)CO)F)C(=O)O
(2)InChI: InChI=1/C8H6F2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2,11H,3H2,(H,12,13)
(3)InChIKey: KJXISPQWLQRHDO-UHFFFAOYAG