CAS No.132997-77-4,1-CHLORO-6-METHOXY-ISOQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132997-77-4
Name:	1-CHLORO-6-METHOXY-ISOQUINOLINE
Article Data:	21

Formula:	C₁₀H₈ClNO
Molecular Weight:	193.633
Synonyms:	1-Chloro-6-methoxyisoquinoline;6-Methoxy-1-chloroisoquinoline;
Density:	1.268 g/cm³
Melting Point:	77℃
Boiling Point:	332.992 °C at 760 mmHg
Flash Point:	155.188 °C
PSA:	22.12000
LogP:	2.89680

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Specification

The Isoquinoline,1-chloro-6-methoxy-, with CAS registry number 132997-77-4, has the systematic name of 1-chloro-6-methoxyisoquinoline. Besides this, it is also called 6-Methoxy-1-chloroisoquinoline. And the chemical formula of this chemical is C₁₀H₈ClNO.

Physical properties of Isoquinoline,1-chloro-6-methoxy-: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 93; (6)ACD/BCF (pH 7.4): 93; (7)ACD/KOC (pH 5.5): 892; (8)ACD/KOC (pH 7.4): 893; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 53.76 cm³; (15)Molar Volume: 152.726 cm³; (16)Polarizability: 21.312×10^-24cm³; (17)Surface Tension: 46.023 dyne/cm; (18)Density: 1.268 g/cm³; (19)Flash Point: 155.188 °C; (20)Enthalpy of Vaporization: 55.297 kJ/mol; (21)Boiling Point: 332.992 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2ccnc(Cl)c2cc1
(2)InChI: InChI=1/C10H8ClNO/c1-13-8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3
(3)InChIKey: UTZJYSXOFHCSGZ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H8ClNO/c1-13-8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3
(5)Std. InChIKey: UTZJYSXOFHCSGZ-UHFFFAOYSA-N