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36841-48-2

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Basic Information
CAS No.: 36841-48-2
Name: [2-(4-BROMO-PHENYL)-OXAZOL-4-YL]-METHANOL
Article Data: 2
Molecular Structure:
Molecular Structure of 36841-48-2 ([2-(4-BROMO-PHENYL)-OXAZOL-4-YL]-METHANOL)
Formula: C10H8BrNO2
Molecular Weight: 254.083
Synonyms: [2-(4-BROMO-PHENYL)-OXAZOL-4-YL]-METHANOL
Density: 1.581 g/cm3
Boiling Point: 388.186 °C at 760 mmHg
Flash Point: 188.568 °C
PSA: 46.26000
LogP: 2.59640
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Specification

The 4-Oxazolemethanol,2-(4-bromophenyl)-, with the CAS registry number 36841-48-2, has the systematic name [2-(4-bromophenyl)oxazol-4-yl]methanol. Its molecular formula is C10H8BrNO2 and its molecular weight is 254.08.

Other characteristics of the 4-Oxazolemethanol,2-(4-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.528; (4)ACD/LogD (pH 7.4): 2.528; (5)ACD/BCF (pH 5.5): 49.098; (6)ACD/BCF (pH 7.4): 49.098; (7)ACD/KOC (pH 5.5): 565.038; (8)ACD/KOC (pH 7.4): 565.038; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.26 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 55.377 cm3; (15)Molar Volume: 160.738 cm3; (16)Polarizability: 21.953×10-24cm3; (17)Surface Tension: 52.561 dyne/cm; (18)Density: 1.581 g/cm3; (19)Flash Point: 188.568 °C; (20)Enthalpy of Vaporization: 67.224 kJ/mol; (21)Boiling Point: 388.186 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1cc(ccc1c2nc(co2)CO)Br
2.InChI: InChI=1/C10H8BrNO2/c11-8-3-1-7(2-4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
3.InChIKey: RYNAHCKMFPVCPI-UHFFFAOYAE