The 4-Isoxazolecarboxylicacid, 3-bromo-5-methyl-, with CAS registry number 130742-22-2, belongs to the following product category: Isoxazole. It has the systematic name of 3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid. And the chemical formula of this chemical is C₅H₄BrNO₃.

Physical properties of 4-Isoxazolecarboxylicacid, 3-bromo-5-methyl-: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.33 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 36.089 cm³; (15)Molar Volume: 110.441 cm³; (16)Polarizability: 14.307×10^-24cm³; (17)Surface Tension: 58.678 dyne/cm; (18)Density: 1.865 g/cm³; (19)Flash Point: 165.245 °C; (20)Enthalpy of Vaporization: 62.698 kJ/mol; (21)Boiling Point: 349.62 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(onc1Br)C
(2)InChI: InChI=1/C5H4BrNO3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H,8,9)
(3)InChIKey: MWOSKCLDLLPNFA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H4BrNO3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H,8,9)
(5)Std. InChIKey: MWOSKCLDLLPNFA-UHFFFAOYSA-N