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CAS No.: | 53064-56-5 |
---|---|
Name: | 5-Isopropyl-3-isoxazolecarbonyl chloride |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H8ClNO2 |
Molecular Weight: | 173.599 |
Synonyms: | 5-Isopropyl-3-isoxazolecarbonylchloride; |
Density: | 1.223 g/cm3 |
Boiling Point: | 244.8 °C at 760 mmHg |
Flash Point: | 101.9 °C |
PSA: | 43.10000 |
LogP: | 2.17700 |
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This chemical has the systematic name 5-Isopropyl-3-isoxazolecarbonyl chloride. With the CAS registry number 53064-56-5, it is also known as 3-isoxazolecarbonyl chloride, 5-(1-methylethyl)-. Its molecular formula is C7H8ClNO2 and its molecular weight is 173.60. Additionally, its product category is Heterocycle.
Other characteristics of the 5-Isopropyl-3-isoxazolecarbonyl chloride can be summarised as followings: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 43.1 Å2; (9)Index of Refraction: 1.49; (10)Molar Refractivity: 41.07 cm3; (11)Molar Volume: 141.9 cm3; (12)Polarizability: 16.28×10-24cm3; (13)Surface Tension: 38.8 dyne/cm; (14)Density: 1.223 g/cm3; (15)Flash Point: 101.9 °C; (16)Enthalpy of Vaporization: 48.19 kJ/mol; (17)Boiling Point: 244.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0297 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)c1cc(no1)C(=O)Cl
2.InChI: InChI=1/C7H8ClNO2/c1-4(2)6-3-5(7(8)10)9-11-6/h3-4H,1-2H3
3.InChIKey: GZPWGHHYNHDGKH-UHFFFAOYAB