3-[5-(4-BROMOPHENYL)-1,3-OXAZOL-2-YL]PROPANOIC ACID

The 2-Oxazolepropanoicacid, 5-(4-bromophenyl)-, with the CAS registry number of 23464-96-2, is also known as 5-(4-Bromophenyl)oxazole-2-propionic acid. It belongs to the product categories of Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Carboxylic Acids; Oxazoles, Isoxazoles & Benzoxazoles; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Oxazoles; Oxazoles Heterocyclic Building Blocks. Its molecular formula is C₁₂H₁₀BrNO₃ and molecular weight is 296.12. What's more, its systematic name is 3-[5-(4-Bromophenyl)-1,3-oxazol-2-yl]propanoic acid.

Physical properties about the 2-Oxazolepropanoicacid, 5-(4-bromophenyl)- are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 97; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.33 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 64.673 cm³; (15)Molar Volume: 190.871 cm³; (16)Surface Tension: 54.006 dyne/cm; (17)Density: 1.551 g/cm³; (18)Flash Point: 230.007 °C; (19)Enthalpy of Vaporization: 75.52 kJ/mol; (20)Boiling Point: 456.704 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCc1ncc(o1)c2ccc(Br)cc2
(2) InChI: InChI=1/C12H10BrNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
(3) InChIKey: JLFDJAGKPSZXGN-UHFFFAOYAO