CAS No.7752-74-1,5-IODO-6-METHYLPYRIMIDIN-4-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7752-74-1
Name:	5-IODO-6-METHYLPYRIMIDIN-4-OL
Article Data:	11

Formula:	C₅H₅IN₂O
Molecular Weight:	236.012
Synonyms:	5-Iodo-6-methylpyrimidin-4-ol;4(1H)-Pyrimidinone, 5-iodo-6-methyl- (9CI);5-Iodo-6-methyl-3H-pyrimidin-4-one;4-Pyrimidinol, 5-iodo-6-methyl- (7CI,8CI);
Density:	2.191 g/cm³
Boiling Point:	245.478 °C at 760 mmHg
Flash Point:	102.262 °C
PSA:	46.01000
LogP:	1.09520

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Specification

The 5-Iodo-6-methyl-4(1H)-pyrimidinone, with the CAS registry number 7752-74-1, is also known as 5-Iodo-6-methylpyrimidin-4-ol. This chemical's molecular formula is C₅H₅IN₂O and molecular weight is 236.01. What's more, its systematic name is 5-Iodo-6-methyl-4(1H)-pyrimidinone.

Physical properties of 5-Iodo-6-methyl-4(1H)-pyrimidinone are: (1)ACD/LogP: 0.057; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): -0.06; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 25.50; (8)ACD/KOC (pH 7.4): 19.74; (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: 1.718; (14)Molar Refractivity: 42.462 cm³; (15)Molar Volume: 107.703 cm³; (16)Polarizability: 16.833×10^-24cm³; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 2.191 g/cm³; (19)Flash Point: 102.262 °C; (20)Enthalpy of Vaporization: 48.257 kJ/mol; (21)Boiling Point: 245.478 °C at 760 mmHg; (22)Vapour Pressure: 0.03 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: I\C1=C(\N\C=N/C1=O)C
(2)Std. InChI: InChI=1S/C5H5IN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
(3)Std. InChIKey: XHNGJGWIEPTDEH-UHFFFAOYSA-N