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209909-03-5

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Basic Information
CAS No.: 209909-03-5
Name: METHYL 4-HYDROXY-4-METHYL-2-PENTYNOATE
Article Data: 2
Molecular Structure:
Molecular Structure of 209909-03-5 (METHYL 4-HYDROXY-4-METHYL-2-PENTYNOATE)
Formula: C10H6ClF2NO
Molecular Weight: 229.614
Synonyms: (2-Chloro-6,7-difluoroquinolin-3-yl)methanol;
Density: 1.521 g/cm3
Boiling Point: 363.487 °C at 760 mmHg
Flash Point: 173.631 °C
PSA: 46.53000
LogP: -0.06630
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Specification

The CAS registry number of 3-Quinolinemethanol,2-chloro-6,7-difluoro- is 209909-03-5. This chemical's molecular formula is C10H6ClF2NO and molecular weight is 229.6105. What's more, its IUPAC name and systematic name are the same which is called (2-Chloro-6,7-difluoroquinolin-3-yl)methanol.

Physical properties about 3-Quinolinemethanol,2-chloro-6,7-difluoro-: (1)ACD/LogP: 1.72; (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): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 164; (8)ACD/KOC (pH 7.4): 164; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 53.521 cm3; (15)Molar Volume: 150.96 cm3; (16)Surface Tension: 53.837 dyne/cm; (17)Density: 1.521 g/cm3; (18)Flash Point: 173.631 °C; (19)Enthalpy of Vaporization: 64.314 kJ/mol; (20)Boiling Point: 363.487 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc2nc(Cl)c(cc2cc1F)CO
(2) InChI: InChI=1/C10H6ClF2NO/c11-10-6(4-15)1-5-2-7(12)8(13)3-9(5)14-10/h1-3,15H,4H2
(3) InChIKey: OJFSSEVPQSAJLY-UHFFFAOYAX