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CAS No.: | 189283-54-3 |
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Name: | 2,4-DIFLUORO-6-HYDROXY-BENZOIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H4F2O3 |
Molecular Weight: | 174.104 |
Synonyms: | 2,4-Difluoro-6-hydroxybenzoicacid; |
Density: | 1.6 g/cm3 |
Melting Point: | 180.8-183.4 °C |
Boiling Point: | 290.6 °C at 760 mmHg |
Flash Point: | 129.5 °C |
PSA: | 57.53000 |
LogP: | 1.36860 |
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The Benzoic acid, 2,4-difluoro-6-hydroxy-, with the CAS registry number 189283-54-3, is also known as 2,4-Difluoro-6-hydroxybenzoicacid. This chemical's molecular formula is C7H4F2O3 and molecular weight is 174.1017. What's more, its systematic name is called 2,4-Difluoro-6-hydroxybenzoic acid.
Physical properties about Benzoic acid, 2,4-difluoro-6-hydroxy- are: (1)ACD/LogP: 3.03; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 57.53 Å2; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 35.05 cm3; (13)Molar Volume: 108.8 cm3; (14)Polarizability: 13.89×10-24 cm3; (15)Surface Tension: 56.7 dyne/cm; (16)Density: 1.6 g/cm3; (17)Flash Point: 129.5 °C; (18)Enthalpy of Vaporization: 55.97 kJ/mol; (19)Boiling Point: 290.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000944 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(F)cc(F)cc1O
(2) InChI: InChI=1/C7H4F2O3/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,10H,(H,11,12)
(3) InChIKey: DHJRFSOFNFQKJE-UHFFFAOYAQ