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| CAS No.: | 1086382-38-8 |
|---|---|
| Name: | 4-Bromo-6-hydroxypyrimidine |
| Molecular Structure: | |
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| Formula: | C4H3BrN2O |
| Molecular Weight: | 174.985 |
| Synonyms: | 6-Bromopyrimidin-4-ol |
| Density: | 1.934 g/cm3 |
| Boiling Point: | 286.642 °C at 760 mmHg |
| Flash Point: | 127.157 °C |
| PSA: | 46.01000 |
| LogP: | 0.94470 |
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Specification
The CAS register number of 4-Bromo-6-hydroxypyrimidine is 1086382-38-8. The systematic name about this chemical is 6-bromopyrimidin-4-ol. The molecular formula about this chemical is C4H3BrN2O and the molecular weight is 174.98342.
Physical properties about 4-Bromo-6-hydroxypyrimidine are: (1)ACD/LogP: 0.82; (2)ACD/LogD (pH 5.5): 0.679; (3)ACD/LogD (pH 7.4): 0.267; (4)ACD/BCF (pH 5.5): 1.786; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 48.045; (7)ACD/KOC (pH 7.4): 18.599; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 46.01 Å2; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 32.007 cm3; (13)Molar Volume: 90.496 cm3; (14)Polarizability: 12.689x10-24cm3; (15)Surface Tension: 69.274 dyne/cm; (16)Density: 1.934 g/cm3; (17)Flash Point: 127.157 °C; (18)Enthalpy of Vaporization: 54.686 kJ/mol; (19)Boiling Point: 286.642 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ncnc1Br)O
(2)InChI: InChI=1/C4H3BrN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)
(3)InChIKey: ZJTSUBVUTCTJNX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C4H3BrN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)
(5)Std. InChIKey: ZJTSUBVUTCTJNX-UHFFFAOYSA-N