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CAS No.: | 728-22-3 |
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Name: | 5-chloro-3-(4-methoxyphenyl)benzo[c]isoxazole |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C14H10ClNO2 |
Molecular Weight: | 259.692 |
Synonyms: | 2,1-Benzisoxazole,5-chloro-3-(p-methoxyphenyl)- (6CI,7CI);5-Chloro-3-(4-methoxyphenyl)-2,1-benzisoxazole;NSC 405897; |
Density: | 1.293 g/cm3 |
Boiling Point: | 427.9 °C at 760 mmHg |
Flash Point: | 212.6 °C |
PSA: | 35.26000 |
LogP: | 4.15680 |
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The CAS registry number of 2,1-Benzisoxazole,5-chloro-3-(4-methoxyphenyl)- is 728-22-3. This chemical's molecular formula is C14H10ClNO2 and molecular weight is 259.6877. Its systematic name and IUPAC name are the same which is called 5-chloro-3-(4-methoxyphenyl)-2,1-benzoxazole.
Physical properties of this chemical are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.621; (7)Molar Refractivity: 70.65 cm3; (8)Molar Volume: 200.8 cm3; (9)Surface Tension: 46.7 dyne/cm; (10)Density: 1.293 g/cm3; (11)Flash Point: 212.6 °C; (12)Enthalpy of Vaporization: 65.65 kJ/mol; (13)Boiling Point: 427.9 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(onc2cc1)c3ccc(OC)cc3
(2)InChI: InChI=1/C14H10ClNO2/c1-17-11-5-2-9(3-6-11)14-12-8-10(15)4-7-13(12)16-18-14/h2-8H,1H3
(3)InChIKey: NDPZKSDUMMEMSO-UHFFFAOYAU