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Name |
6-Fluoroquinazolin-4-ol |
EINECS | N/A |
CAS No. | 16499-56-2 | Density | 1.442 g/cm3 |
PSA | 45.75000 | LogP | 1.06220 |
Solubility | N/A | Melting Point |
250 °C |
Formula | C8H5FN2O | Boiling Point | 318.266 °C at 760 mmHg |
Molecular Weight | 164.139 | Flash Point | 146.282 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4(1H)-Quinazolinone,6-fluoro- (9CI);6-Fluoroquinazolin-4-one;6-Fluoroquinazolin-4-ol;6-Fluoro-4-hydroxyquinazoline; |
Article Data | 41 |
The IUPAC name of 6-Fluoroquinazolin-4-ol is 6-fluoro-1H-quinazolin-4-one. With the CAS registry number 16499-56-2, it is also named as 4(3H)-Quinazolinone,6-fluoro-. The product's category is Pharmacetical. In addition, its molecular formula is C8H5FN2O and its molecular weight is 164.14.
The other characteristics of 6-Fluoroquinazolin-4-ol can be summarized as: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 67; (8)ACD/KOC (pH 7.4): 67; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 41.143 cm3; (15)Molar Volume: 113.85 cm3; (16)Polarizability: 16.31×10-24cm3; (17)Surface Tension: 47.57 dyne/cm; (18)Density: 1.442 g/cm3; (19)Flash Point: 146.282 °C; (20)Enthalpy of Vaporization: 55.975 kJ/mol; (21)Boiling Point: 318.266 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1ccc2/N=C\NC(=O)c2c1
(2)InChI: InChI=1/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
(3)InChIKey: WCSMZAHKVXOYLH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
(5)Std. InChIKey: WCSMZAHKVXOYLH-UHFFFAOYSA-N