CAS No.2145-53-1,4-Pyrimidinol, 5-fluoro-6-methyl- (7CI,8CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2145-53-1
Name:	4-Pyrimidinol, 5-fluoro-6-methyl- (7CI,8CI)
Article Data:	4

Formula:	C₅H₅FN₂O
Molecular Weight:	128.106
Synonyms:	4(1H)-Pyrimidinone,5-fluoro-6-methyl- (9CI);4-Pyrimidinol, 5-fluoro-6-methyl- (7CI,8CI);
Density:	1.378 g/cm³
Boiling Point:	159.618 °C at 760 mmHg
Flash Point:	50.335 °C
PSA:	46.01000
LogP:	0.62970

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Specification

The 4(3H)-Pyrimidinone,5-fluoro-6-methyl-, with the CAS registry number 2145-53-1, is also known as 4-Hydroxy-5-fluor-6-methyl-pyrimidin. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₅H₅FN₂O and molecular weight is 128.10. What's more, its systematic name is called 5-Fluoro-6-methyl-4(1H)-pyrimidinone.

Physical properties about 4(3H)-Pyrimidinone,5-fluoro-6-methyl- are: (1)ACD/LogP: -0.589; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 11.29; (8)ACD/KOC (pH 7.4): 6.86; (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: 1.551; (14)Molar Refractivity: 29.68 cm³; (15)Molar Volume: 92.99 cm³; (16)Polarizability: 11.766×10^-24cm³; (17)Surface Tension: 37.72 dyne/cm; (18)Density: 1.378 g/cm³; (19)Flash Point: 50.335 °C; (20)Enthalpy of Vaporization: 39.625 kJ/mol; (21)Boiling Point: 159.618 °C at 760 mmHg; (22)Vapour Pressure: 2.48 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: F\C1=C(\N\C=N/C1=O)C
(2) InChI: InChI=1S/C5H5FN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
(3) InChIKey: JLXKUJWGTMEFDD-UHFFFAOYSA-N