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| CAS No.: | 219763-83-4 |
|---|---|
| Name: | 4-CHLORO-6-CYANOQUINOLINE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C10H5ClN2 |
| Molecular Weight: | 188.616 |
| Synonyms: | 4-Chloro-6-cyanoquinoline;4-Chloroquinoline-6-carbonitrile; |
| Density: | 1.363 g/cm3 |
| Boiling Point: | 340.299 °C at 760 mmHg |
| Flash Point: | 159.608 °C |
| PSA: | 36.68000 |
| LogP: | 2.75988 |
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Specification
The 4-chloroquinoline-6-carbonitrile, with the CAS registry number 219763-83-4, is also known as 4-Chloro-6-cyanoquinoline. This chemical's molecular formula is C10H5ClN2 and molecular weight is 188.61. What's more, its systematic name is 4-Chloroquinoline-6-carbonitrile.
Physical properties of 4-chloroquinoline-6-carbonitrile are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 36; (6)ACD/BCF (pH 7.4): 36; (7)ACD/KOC (pH 5.5): 455; (8)ACD/KOC (pH 7.4): 456; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 51.503 cm3; (15)Molar Volume: 138.405 cm3; (16)Polarizability: 20.418×10-24 cm3; (17)Surface Tension: 63.439 dyne/cm; (18)Density: 1.363 g/cm3; (19)Flash Point: 159.608 °C; (20)Enthalpy of Vaporization: 58.384 kJ/mol; (21)Boiling Point: 340.299 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc2nccc(Cl)c2c1
(2)InChI: InChI=1S/C10H5ClN2/c11-9-3-4-13-10-2-1-7(6-12)5-8(9)10/h1-5H
(3)InChIKey: FLRGXIDFVYOCLP-UHFFFAOYSA-N