Basic Information | Post buying leads | Suppliers |
Name |
2-Pyrimidineaceticacid, 5-bromo- |
EINECS | N/A |
CAS No. | 1134327-93-7 | Density | 1.815 g/cm3 |
PSA | 63.08000 | LogP | 0.86620 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5BrN2O2 | Boiling Point | 349 °C at 760 mmHg |
Molecular Weight | 217.0201 | Flash Point | 164.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5-Bromopyrimidin-2-yl)acetic acid; |
The 2-Pyrimidineaceticacid, 5-bromo-, with the CAS registry number of 1134327-93-7, is also known as 5-Bromopyrimidine-2-acetic acid. This chemical's molecular formula is C6H5BrN2O2 and molecular weight is 217.0201. What's more, its systematic name is (5-Bromopyrimidin-2-yl)acetic acid.
Physical properties about 2-Pyrimidineaceticacid, 5-bromo- are: (1)ACD/LogP: 0.36; (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: 2; (10)Polar Surface Area: 63.08 Å2; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 41.23 cm3; (13)Molar Volume: 119.5 cm3; (14)Surface Tension: 69 dyne/cm; (15)Density: 1.815 g/cm3; (16)Flash Point: 164.9 °C; (17)Enthalpy of Vaporization: 62.63 kJ/mol; (18)Boiling Point: 349 °C at 760 mmHg; (19)Vapour Pressure: 1.81E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cnc(n1)CC(=O)O)Br
(2) InChI: InChI=1/C6H5BrN2O2/c7-4-2-8-5(9-3-4)1-6(10)11/h2-3H,1H2,(H,10,11)
(3) InChIKey: VQTSLZVLSPVCJG-UHFFFAOYAG