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| CAS No.: | 20146-59-2 |
|---|---|
| Name: | 4-CHLORO-2-HYDROXYQUINOLINE |
| Molecular Structure: | |
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| Formula: | C9H6ClNO |
| Molecular Weight: | 179.606 |
| Synonyms: | Carbostyril,4-chloro- (6CI,8CI);4-Chloro-1H-quinolin-2-one;4-Chloro-2(1H)-quinolinone;4-Chlorocarbostyril;NSC 170304; |
| Density: | 1.38 g/cm3 |
| Melting Point: | 254 °C |
| Boiling Point: | 366.9 °C at 760 mmHg |
| Flash Point: | 175.7 °C |
| PSA: | 33.12000 |
| LogP: | 2.59380 |
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Specification
The 2(1H)-Quinolinone,4-chloro-, with the CAS registry number 20146-59-2, is also known as 4-Chloroquinolin-2(1H)-one. This chemical's molecular formula is C9H6ClNO and molecular weight is 179.60304. What's more, its IUPAC name is called 4-Chloro-1H-quinolin-2-one.
Physical properties about 2(1H)-Quinolinone,4-chloro- are: (1) ACD/LogP: 1.45; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.45; (4) ACD/LogD (pH 7.4): 1.45; (5) ACD/BCF (pH 5.5): 7.46; (6) ACD/BCF (pH 7.4): 7.45; (7) ACD/KOC (pH 5.5): 146.7; (8) ACD/KOC (pH 7.4): 146.53; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 20.31 Å2; (13) Index of Refraction: 1.641; (14) Molar Refractivity: 46.87 cm3; (15) Molar Volume: 129.8 cm3; (16) Surface Tension: 52.1 dyne/cm; (17) Density: 1.38 g/cm3; (18) Flash Point: 175.7 °C; (19) Enthalpy of Vaporization: 61.33 kJ/mol; (20) Boiling Point: 366.9 °C at 760 mmHg; (21) Vapour Pressure: 1.42E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC=2c1c(cccc1)NC(=O)C=2
(2) InChI: InChI=1/C9H6ClNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-5H,(H,11,12)
(3) InChIKey: YJXTZWWKNXVRHA-UHFFFAOYAO