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Name |
5-Chloro-2-pyrimidinol |
EINECS | N/A |
CAS No. | 214290-50-3 | Density | 1.55 g/cm3 |
PSA | 46.01000 | LogP | 0.83560 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H3ClN2O | Boiling Point | 345.2±34.0 °C(Predicted) |
Molecular Weight | 130.534 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Chloro-2-pyrimidinol; |
The 5-Chloro-2-pyrimidinol with the cas number 214290-50-3 is also called 2-Pyrimidinol,5-chloro-. The systematic name is 5-chloropyrimidin-2(1H)-one. Its molecular formula is C4H3ClN2O. The product category is pyrimidine.
The properties of the chemical are: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -1.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.98; (8)ACD/KOC (pH 7.4): 3.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 29.98 cm3; (15)Molar Volume: 84 cm3; (16)Polarizability: 11.88×10-24cm3; (17)Surface Tension: 54.1 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC=1\C=N/C(=O)NC=1
(2)InChI: InChI=1/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
(3)InChIKey: OCSYCDVQABSEPJ-UHFFFAOYAA