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CAS No.: | 257280-25-4 |
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Name: | 5-BROMO-2-PHENOXYPYRIMIDINE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C10H7BrN2O |
Molecular Weight: | 251.082 |
Synonyms: | 5-Bromo-2-phenoxypyrimidine; |
EINECS: | 1312995-182-4 |
Density: | 1.543 g/cm3 |
Boiling Point: | 366.7 °C at 760 mmHg |
Flash Point: | 175.6 °C |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 35.01000 |
LogP: | 3.03140 |
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This chemical is called 5-Bromo-2-phenoxypyrimidine, and it can also be named as Pyrimidine, 5-bromo-2-phenoxy-. With the molecular formula of C10H7BrN2O, its molecular weight is 251.08. The CAS registry number of this chemical is 257280-25-4.
Other characteristics of the 5-Bromo-2-phenoxypyrimidine can be summarised as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.39; (6)ACD/BCF (pH 7.4): 66.39; (7)ACD/KOC (pH 5.5): 701.25; (8)ACD/KOC (pH 7.4): 701.25; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 56.56 cm3; (15)Molar Volume: 162.6 cm3; (16)Polarizability: 22.42×10-24cm3; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.543 g/cm3; (19)Flash Point: 175.6 °C; (20)Enthalpy of Vaporization: 58.91 kJ/mol; (21)Boiling Point: 366.7 °C at 760 mmHg; (22)Vapour Pressure: 3.02E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2cnc(Oc1ccccc1)nc2
2.InChI: InChI=1/C10H7BrN2O/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h1-7H
3.InChIKey: ZFECRMYYOMVREH-UHFFFAOYAT