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| CAS No.: | 150010-20-1 |
|---|---|
| Name: | 2-Bromo-5-methylpyrimidine |
| Molecular Structure: | |
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| Formula: | C5H5BrN2 |
| Molecular Weight: | 173.012 |
| Synonyms: | Pyrimidine,2-bromo-5-methyl;RB3278; |
| Density: | 1.596 g/cm3 |
| Boiling Point: | 265 °C at 760 mmHg |
| Flash Point: | 114 °C |
| PSA: | 25.78000 |
| LogP: | 1.54750 |
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Specification
This chemical is called 2-Bromo-5-methylpyrimidine, and its systematic name is 2-Bromo-5-methylpyrimidine. With the molecular formula of C5H5BrN2, its molecular weight is 173.01. The CAS registry number of this chemical is 150010-20-1.
Other characteristics of the 2-Bromo-5-methylpyrimidine can be summarised as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.16; (6)ACD/BCF (pH 7.4): 3.16; (7)ACD/KOC (pH 5.5): 79.3; (8)ACD/KOC (pH 7.4): 79.3; (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: 13.85×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.596 g/cm3; (19)Flash Point: 114 °C; (20)Enthalpy of Vaporization: 48.26 kJ/mol; (21)Boiling Point: 265 °C at 760 mmHg; (22)Vapour Pressure: 0.0154 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cnc(nc1)Br
2.InChI: InChI=1/C5H5BrN2/c1-4-2-7-5(6)8-3-4/h2-3H,1H3
3.InChIKey: KYCGEJNZMHUBMX-UHFFFAOYAZ