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| CAS No.: | 72788-94-4 |
|---|---|
| Name: | (5-Chloropyrazin-2-yl)methanol |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C5H5ClN2O |
| Molecular Weight: | 144.56 |
| Synonyms: | C90112; |
| Density: | 1.422 g/cm3 |
| Melting Point: | 62-63 °C |
| Boiling Point: | 255.7 °C at 760 mmHg |
| Flash Point: | 108.5 °C |
| PSA: | 46.01000 |
| LogP: | 0.62230 |
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Specification
The (5-Chloropyrazin-2-yl)methanol, with the CAS registry number of 72788-94-4, is also known as C90112. This chemical's molecular formula is C5H5ClN2O and molecular weight is 144.559.
Physical properties about (5-Chloropyrazin-2-yl)methanol are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12.06; (5)ACD/KOC (pH 7.4): 12.06; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.01 Å2; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 33.78 cm3; (12)Molar Volume: 101.6 cm3; (13)Polarizability: 13.39×10-24 cm3; (14)Surface Tension: 61.7 dyne/cm; (15)Density: 1.422 g/cm3; (16)Flash Point: 108.5 °C; (17)Enthalpy of Vaporization: 52.11 kJ/mol; (18)Boiling Point: 255.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00827 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cnc(Cl)cn1
(2) InChI: InChI=1/C5H5ClN2O/c6-5-2-7-4(3-9)1-8-5/h1-2,9H,3H2
(3) InChIKey: YUTQYZGRAJOIJV-UHFFFAOYAJ