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| CAS No.: | 91659-08-4 |
|---|---|
| Name: | 2,4-Difluoro-3-hydroxybenzoicacid |
| Molecular Structure: | |
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| Formula: | C7H4F2O3 |
| Molecular Weight: | 174.1017 |
| Synonyms: | 2,4-DIFLURO-3-HYDROXYBENZOIC ACID |
| Density: | 1.6g/cm3 |
| Boiling Point: | 285.3 °C at 760 mmHg |
| Flash Point: | 126.3 °C |
| PSA: | 57.53000 |
| LogP: | 1.36860 |
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- Total:23 Page 1 of 1 1
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Specification
The 2,4-Difluoro-3-hydroxybenzoicacid, with CAS registry number 91659-08-4, has the systematic name of 2,4-difluoro-3-hydroxybenzoic acid. And the chemical formula of this chemical is C7H4F2O3. Its molecular structure is 174.1017.
Physical properties of 2,4-Difluoro-3-hydroxybenzoicacid: (1)ACD/LogP: 2.03; (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): 1.09; (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: 13.89×10-24cm3; (15)Surface Tension: 56.7 dyne/cm; (16)Enthalpy of Vaporization: 55.38 kJ/mol; (17)Vapour Pressure: 0.00132 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C(O)=O)c(F)c1O
(2)InChI: InChI=1/C7H4F2O3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,(H,11,12)
(3)InChIKey: AYDXPNZXVSSJRD-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H4F2O3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,(H,11,12)
(5)Std. InChIKey: AYDXPNZXVSSJRD-UHFFFAOYSA-N