4-Pyrimidinecarboxylicacid, 5-bromo- (64224-60-8)

The 5-Bromo-4-pyrimidinecarboxylic acid with cas registry number of 64224-60-8, belongs to the following product categorie: pyrimidine series. And its systematic name and IUPAC name are the same, which is 5-bromopyrimidine-4-carboxylic acid. Besides this, it is also named 5-Bromopyrimidine-4-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 63.08 Å²; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 37.056 cm³; (13)Molar Volume: 104.595 cm³; (14)Polarizability: 14.69×10^-24cm³; (15)Surface Tension: 75.377 dyne/cm; (16)Enthalpy of Vaporization: 63.582 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1c(c(ncn1)C(=O)O)Br;
(2)InChI: InChI=1/C5H3BrN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10);
(3)InChIKey: HZZBITVSVYFOND-UHFFFAOYAZ;
(4)Std. InChI: InChI=1S/C5H3BrN2O2/c6-3-1-7-2-8-4(3)5(9)10/h1-2H,(H,9,10);
(5)Std. InChIKey: HZZBITVSVYFOND-UHFFFAOYSA-N