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CAS No.: | 89808-74-2 |
---|---|
Name: | 5-(2-CHLOROPHENYL)OXAZOLE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H6ClNO |
Molecular Weight: | 179.606 |
Synonyms: | 5-(o-Chlorophenyl)oxazole; |
Density: | 1.258g/cm3 |
Melting Point: | 33-35°C |
Boiling Point: | 274.7 °C at 760 mmHg |
Flash Point: | 120 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 45 |
PSA: | 26.03000 |
LogP: | 2.99500 |
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The Oxazole,5-(2-chlorophenyl)-, with CAS registry number 89808-74-2, has the systematic name of 5-(2-chlorophenyl)-1,3-oxazole. This chemical belongs to the following product categories: (1)Halides; (2)Phenyls & Phenyl-Het; (3)Oxazole & Isoxazole. And the chemical formula of this chemical is C9H6ClNO.
Physical properties of Oxazole,5-(2-chlorophenyl)-: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.33; (6)ACD/BCF (pH 7.4): 36.33; (7)ACD/KOC (pH 5.5): 455.46; (8)ACD/KOC (pH 7.4): 455.46; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.03 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 46.13 cm3; (15)Molar Volume: 142.6 cm3; (16)Polarizability: 18.28×10-24cm3; (17)Surface Tension: 42.6 dyne/cm; (18)Enthalpy of Vaporization: 49.25 kJ/mol; (19)Vapour Pressure: 0.0089 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1c2ocnc2
(2)InChI: InChI=1/C9H6ClNO/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H
(3)InChIKey: DMZJGPXZLVUMIN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H
(5)Std. InChIKey: DMZJGPXZLVUMIN-UHFFFAOYSA-N