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Name |
Pyrido[4,3-d]pyrimidine,4-chloro-7-fluoro- |
EINECS | N/A |
CAS No. | 175357-95-6 | Density | 1.538 g/cm3 |
PSA | 38.67000 | LogP | 1.81730 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3ClFN3 | Boiling Point | 331.65 °C at 760 mmHg |
Molecular Weight | 183.572 | Flash Point | 154.377 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-7-fluoro-pyrido[4,3-d]pyrimidine; |
Article Data | 2 |
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