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193975-33-6

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Basic Information
CAS No.: 193975-33-6
Name: 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
Article Data: 3
Molecular Structure:
Molecular Structure of 193975-33-6 (5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one)
Formula: C12H9ClINO2
Molecular Weight: 361.5628
Synonyms: 5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE;ethyl 4-chloro-8-iodoquinoline-3-carboxylate;Methyl 4-chloro-8-iodoquinoline-3-carboxylate
Density: 1.762 g/cm3
Boiling Point: 398.997 °C at 760 mmHg
Flash Point: 195.107 °C
Safety: 24/25
PSA: 39.19000
LogP: 3.66950
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Specification

The 3-Quinolinecarboxylicacid, 4-chloro-8-iodo-, ethyl ester, with the CAS registry number 193975-33-6, is also known as 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one. This chemical's molecular formula is C12H9ClINO2 and molecular weight is 361.5628. What's more, its systematic name is Ethyl 4-chloro-8-iodoquinoline-3-carboxylate.

Physical properties about 3-Quinolinecarboxylicacid, 4-chloro-8-iodo-, ethyl ester are: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.667; (8)Molar Refractivity: 76.395 cm3; (9)Molar Volume: 205.196 cm3; (10)Polarizability: 30.285×10-24 cm3; (11)Surface Tension: 56.015 dyne/cm; (12)Density: 1.762 g/cm3; (13)Flash Point: 195.107 °C; (14)Enthalpy of Vaporization: 64.966 kJ/mol; (15)Boiling Point: 398.997 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cccc2c(Cl)c(cnc12)C(=O)OCC
(2) InChI: InChI=1/C12H9ClINO2/c1-2-17-12(16)8-6-15-11-7(10(8)13)4-3-5-9(11)14/h3-6H,2H2,1H3
(3) InChIKey: JVNZFPUXWUBKAW-UHFFFAOYAN