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CAS No.: | 61937-71-1 |
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Name: | 2-Amino-5-bromo-4-pyrimidinol |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C4H4BrN3O |
Molecular Weight: | 189.999 |
Synonyms: | 2-Amino-5-bromopyrimidin-4-ol;2-Amino-5-bromo-4-hydroxypyrimidine; |
Density: | 2.25 g/cm3 |
Melting Point: | 284-285 °C |
Boiling Point: | 379.5 °C at 760 mmHg |
Flash Point: | 183.3 °C |
PSA: | 72.03000 |
LogP: | 1.10810 |
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This chemical is called 2-Amino-5-bromo-4-pyrimidinol, and its CAS registry number is 189.999. With the molecular formula of C4H4BrN3O, its molecular weight is 189.999. Additionally, its product categories are Halides; Pyrazines, Pyrimidines & Pyridazines.
Other characteristics of the 2-Amino-5-bromo-4-pyrimidinol can be summarised as followings: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.64; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.72; (8)ACD/KOC (pH 7.4): 7.83; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å2; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 34.85 cm3; (15)Molar Volume: 84.2 cm3; (16)Polarizability: 13.81×10-24cm3; (17)Surface Tension: 77.5 dyne/cm; (18)Density: 2.25 g/cm3; (19)Flash Point: 183.3 °C; (20)Enthalpy of Vaporization: 65.21 kJ/mol; (21)Boiling Point: 379.5 °C at 760 mmHg; (22)Vapour Pressure: 2.68E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Br\C1=C\N=C(\N)NC1=O
2.InChI: InChI=1/C4H4BrN3O/c5-2-1-7-4(6)8-3(2)9/h1H,(H3,6,7,8,9)
3.InChIKey: PDLZQTZTKDRRAP-UHFFFAOYAQ