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CAS No.: | 51421-99-9 |
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Name: | Pyrimidine, 4-chloro-2-methoxy- (9CI) |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H5ClN2O |
Molecular Weight: | 144.56 |
Synonyms: | Pyrimidine, 4-chloro-2-methoxy- (9CI); |
Density: | 1.293 g/cm3 |
Boiling Point: | 234.507 °C at 760 mmHg |
Flash Point: | 95.627 °C |
PSA: | 35.01000 |
LogP: | 1.13860 |
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The 4-Chloro-2-methoxypyrimidine with the CAS number 51421-99-9 is also called Pyrimidine, 4-chloro-2-methoxy- (9CI). Its molecular formula is C5H5ClN2O. This chemical belongs to the following product categories: (1)Pyrimidine; (2)Building Blocks.
The properties of the chemical are: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.892; (4)ACD/LogD (pH 7.4): 0.892; (5)ACD/BCF (pH 5.5): 2.807; (6)ACD/BCF (pH 7.4): 2.807; (7)ACD/KOC (pH 5.5): 72.863; (8)ACD/KOC (pH 7.4): 72.863; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 34.009 cm3; (15)Molar Volume: 111.834 cm3; (16)Polarizability: 13.482×10-24cm3; (17)Surface Tension: 44.048 dyne/cm; (18)Enthalpy of Vaporization: 45.212 kJ/mol; (19)Vapour Pressure: 0.08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1nccc(n1)Cl
(2)InChI: InChI=1/C5H5ClN2O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
(3)InChIKey: XCAMEGPUILTZSU-UHFFFAOYAE