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Basic Information
CAS No.: 175357-95-6
Name: 4-chloro-7-fluoro-pyrido[4,3-d]pyrimidine
Molecular Structure:
Molecular Structure of 175357-95-6 (4-chloro-7-fluoro-pyrido[4,3-d]pyrimidine)
Formula: C7H3ClFN3
Molecular Weight: 183.572
Synonyms: 4-Chloro-7-fluoro-pyrido[4,3-d]pyrimidine;
Density: 1.538 g/cm3
Boiling Point: 331.65 °C at 760 mmHg
Flash Point: 154.377 °C
PSA: 38.67000
LogP: 1.81730
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Specification

The Pyrido[4, 3-d]pyrimidine, 4-chloro-7-fluoro-, with the CAS registry number 175357-95-6, is also known as 4-Chloro-7-fluoro-pyrido[4, 3-d]pyrimidine. It belongs to the product category of Chiral chemicals. This chemical's molecular formula is C7H3ClFN3 and molecular weight is 183.57. What's more, its IUPAC name is 4-Chloro-7-fluoropyrido[4, 3-d]pyrimidine.

Physical properties about Pyrido[4, 3-d]pyrimidine, 4-chloro-7-fluoro- are: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35; (8)ACD/KOC (pH 7.4): 35; (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: 1.645; (14)Molar Refractivity: 43.258 cm3; (15)Molar Volume: 119.381 cm3; (16)Polarizability: 17.149×10-24 cm3; (17)Surface Tension: 63.157 dyne/cm; (18)Density: 1.538 g/cm3; (19)Flash Point: 154.377 °C; (20)Enthalpy of Vaporization: 55.155 kJ/mol; (21)Boiling Point: 331.65 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ncnc1c2cnc(F)c1
(2) InChI: InChI=1/C7H3ClFN3/c8-7-4-2-10-6(9)1-5(4)11-3-12-7/h1-3H
(3) InChIKey: KMHJLZHSKXZCIS-UHFFFAOYAQ