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| CAS No.: | 1185768-18-6 |
|---|---|
| Name: | 7-Fluoroquinoline-6-carbaldehyde |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H6FNO |
| Molecular Weight: | 175.16 |
| Synonyms: | 7-Fluoroquinoline-6-carbaldehyde; |
| Density: | 1.32 g/cm3 |
| Boiling Point: | 316.129 °C at 760 mmHg |
| Flash Point: | 144.99 °C |
| PSA: | 29.96000 |
| LogP: | 2.18640 |
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Specification
The 6-Quinolinecarboxaldehyde, 7-fluoro- has the CAS registry number 1185768-18-6. This chemical's molecular formula is C10H6FNO and molecular weight is 175.16. What's more, its systematic name is 7-Fluoroquinoline-6-carbaldehyde.
Physical properties of 6-Quinolinecarboxaldehyde, 7-fluoro- are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.912; (4)ACD/LogD (pH 7.4): 0.913; (5)ACD/BCF (pH 5.5): 2.902; (6)ACD/BCF (pH 7.4): 2.91; (7)ACD/KOC (pH 5.5): 74.557; (8)ACD/KOC (pH 7.4): 74.766; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 48.933 cm3; (15)Molar Volume: 132.649 cm3; (16)Polarizability: 19.399×10-24 cm3; (17)Surface Tension: 52.721 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 144.99 °C; (20)Enthalpy of Vaporization: 55.743 kJ/mol; (21)Boiling Point: 316.129 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cc(c(cc2nc1)F)C=O
(2)InChI: InChI=1S/C10H6FNO/c11-9-5-10-7(2-1-3-12-10)4-8(9)6-13/h1-6H
(3)InChIKey: MXHXHJCXWSYDQO-UHFFFAOYSA-N