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| CAS No.: | 189816-05-5 |
|---|---|
| Name: | 4-Chloro-7-methoxy-2-phenylquinoline |
| Molecular Structure: | |
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| Formula: | C16H12ClNO |
| Molecular Weight: | 269.73 |
| Synonyms: | 4-Chloro-7-methoxy-2-(phenyl)quinoline; |
| Density: | 1.237 g/cm3 |
| Melting Point: | 96-99 °C |
| Boiling Point: | 414.285 °C at 760 mmHg |
| Flash Point: | 204.353 °C |
| Appearance: | liquid |
| PSA: | 22.12000 |
| LogP: | 4.56380 |
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Specification
The Quinoline, 4-chloro-7-methoxy-2-phenyl-, with the CAS registry number 189816-05-5, is also known as 4-Chloro-7-methoxy-2-(phenyl)quinoline. This chemical's molecular formula is C16H12ClNO and molecular weight is 269.73. What's more, its IUPAC name is 4-Chloro-7-methoxy-2-phenylquinoline.
Physical properties about Quinoline, 4-chloro-7-methoxy-2-phenyl- are: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2682; (6)ACD/BCF (pH 7.4): 2700; (7)ACD/KOC (pH 5.5): 9883; (8)ACD/KOC (pH 7.4): 9949; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 78.352 cm3; (15)Molar Volume: 218.011 cm3; (16)Polarizability: 31.061×10-24 cm3; (17)Surface Tension: 47.108 dyne/cm; (18)Density: 1.237 g/cm3; (19)Flash Point: 204.353 °C; (20)Enthalpy of Vaporization: 64.129 kJ/mol; (21)Boiling Point: 414.285 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c3ccc(OC)cc3nc(c1)c2ccccc2
(2) InChI: InChI=1/C16H12ClNO/c1-19-12-7-8-13-14(17)10-15(18-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3
(3) InChIKey: BAZSITKSXXHTNS-UHFFFAOYAB