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| CAS No.: | 64224-60-8 |
|---|---|
| Name: | 5-BROMO-4-PYRIMIDINECARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C5H3BrN2O2 |
| Molecular Weight: | 202.99352 |
| Synonyms: | 5-Bromopyrimidine-4-carboxylicacid;4-pyrimidinecarboxylic acid, 5-bromo-; |
| Density: | 1.941g/cm3 |
| Boiling Point: | 357.218 °C at 760 mmHg |
| Flash Point: | 169.84 °C |
| PSA: | 63.08000 |
| LogP: | 0.93730 |
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Specification
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