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CAS No.: | 126728-20-9 |
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Name: | 2,4-DICHLOROPYRIDO[2,3-D]PYRIMIDINE |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C7H3Cl2N3 |
Molecular Weight: | 200.027 |
Synonyms: | 2,4-DICHLOROPYRIDO[2,3-D]PYRIMIDINE |
Density: | 1.573 g/cm3 |
Melting Point: | 157-158 °C (decomp) |
PSA: | 38.67000 |
LogP: | 2.33160 |
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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