Name: 4,6-Dichloropyrido[3,2-d]pyrimidine
SKU: 175358-02-8

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Basic Information

Molecular Structure:
CAS No.:	175358-02-8
Name:	4,6-Dichloropyrido[3,2-d]pyrimidine
Article Data:	17

Formula:	C₇H₃Cl₂N₃
Molecular Weight:	200.027
Synonyms:	4,6-Dichloropyrido[3,2-d]pyrimidine;
Density:	1.573 g/cm³
Boiling Point:	314.616 °C at 760 mmHg
Flash Point:	173.301 °C
PSA:	38.67000
LogP:	2.33160

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Specification

The Pyrido[3, 2-d]pyrimidine, 4, 6-dichloro- has CAS registry number 175358-02-8. This chemical's molecular formula is C₇H₃Cl₂N₃ and molecular weight is 200.03. What's more, its IUPAC name is 4, 6-Dichloropyrido[3, 2-d]pyrimidine.

Physical properties about Pyrido[3, 2-d]pyrimidine, 4, 6-dichloro- are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 63; (8)ACD/KOC (pH 7.4): 63; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 48.159 cm³; (15)Molar Volume: 127.122 cm³; (16)Polarizability: 19.092×10^-24 cm³; (17)Surface Tension: 68.18 dyne/cm; (18)Density: 1.573 g/cm³; (19)Flash Point: 173.301 °C; (20)Enthalpy of Vaporization: 53.365 kJ/mol; (21)Boiling Point: 314.616 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ncnc1c2nc(Cl)cc1
(2) InChI: InChI=1/C7H3Cl2N3/c8-5-2-1-4-6(12-5)7(9)11-3-10-4/h1-3H
(3) InChIKey: FCNJEINFWXOLQY-UHFFFAOYAM