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2,4-Dichloropyrido[2,3-d]pyrimidine

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Name

2,4-Dichloropyrido[2,3-d]pyrimidine

EINECS N/A
CAS No. 126728-20-9 Density 1.573 g/cm3
PSA 38.67000 LogP 2.33160
Solubility N/A Melting Point 157-158 °C (decomp)
Formula C7H3Cl2N3 Boiling Point N/A
Molecular Weight 200.027 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 126728-20-9 (2,4-DICHLOROPYRIDO[2,3-D]PYRIMIDINE) Hazard Symbols N/A
Synonyms

2,4-DICHLOROPYRIDO[2,3-D]PYRIMIDINE

Article Data 26

2,4-Dichloropyrido[2,3-d]pyrimidine Specification

The 2,4-Dichloropyrido[2,3-d]pyrimidine, with the CAS registry number 126728-20-9, is also called Pyrido[2,3-d]pyrimidine, 2,4-dichloro-, and it should be stored at dry and cool environment. The molecular formula of the chemical is C7H3Cl2N3.

The characteristics of 2,4-Dichloropyrido[2,3-d]pyrimidine are as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 174; (8)ACD/KOC (pH 7.4): 174; (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: 19.092×10-24cm3; (17)Surface Tension: 68.18 dyne/cm; (18)Density: 1.573 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2nc(Cl)nc1ncccc12
(2)InChI: InChI=1/C7H3Cl2N3/c8-5-4-2-1-3-10-6(4)12-7(9)11-5/h1-3H
(3)InChIKey: QSNSZGYDLUPWSV-UHFFFAOYAJ

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