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CAS No.: | 1114560-76-7 |
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Name: | 4-Bromo-2-methylpyrimidine |
Molecular Structure: | |
Formula: | C5H5BrN2 |
Molecular Weight: | 173.012 |
Synonyms: | 1114560-76-7; |
Density: | 1.596 g/cm3 |
Boiling Point: | 195.2 °C at 760 mmHg |
Flash Point: | 71.9 °C |
PSA: | 25.78000 |
LogP: | 1.54750 |
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The 4-Bromo-2-methylpyrimidine has the CAS registry number 1114560-76-7. This chemical's molecular formula is C5H5BrN2 and molecular weight is 173.01. What's more, its systematic name is 4-bromo-2-methylpyrimidine.
Physical properties of 4-Bromo-2-methylpyrimidine are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 2.08; (7)ACD/KOC (pH 5.5): 58.83; (8)ACD/KOC (pH 7.4): 58.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 34.95 cm3; (15)Molar Volume: 108.3 cm3; (16)Polarizability: 13.85×10-24 cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.596 g/cm3; (19)Flash Point: 71.9 °C; (20)Enthalpy of Vaporization: 41.38 kJ/mol; (21)Boiling Point: 195.2 °C at 760 mmHg; (22)Vapour Pressure: 0.593 mmHg at 25°.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Brc1ccnc(C)n1
(2)InChI: InChI=1/C5H5BrN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3
(3)InChIKey: OJPQVYZLQGRFSO-UHFFFAOYAC