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CAS No.: | 51674-77-2 |
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Name: | Pyrido[3,2-d]pyrimidine, 4-chloro- |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C7H4ClN3 |
Molecular Weight: | 165.582 |
Synonyms: | 4-Chloropyrido[3,2-d]pyrimidine; |
Density: | 1.438 g/cm3 |
Melting Point: | 136-139 °C (decomp) |
Boiling Point: | 297.293 °C at 760 mmHg |
Flash Point: | 161.721 °C |
PSA: | 38.67000 |
LogP: | 1.67820 |
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The 4-Chloropyrido[3,2-d]pyrimidine, with the CAS registry number 51674-77-2, is also known as pyrido[3,2-d]pyrimidine, 4-chloro-. Its molecular formula is C7H4ClN3 and its molecular weight is 165.57976. Additionally, its product category is Chiral Chemicals.
Other characteristics of the can be summarised as followings: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 23; (6)ACD/KOC (pH 7.4): 23; (7)#H bond acceptors: 3; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 38.67 Å2; (10)Index of Refraction: 1.675; (11)Molar Refractivity: 43.264 cm3; (12)Molar Volume: 115.171 cm3; (13)Polarizability: 17.151×10-24cm3; (14)Surface Tension: 66.93 dyne/cm; (15)Density: 1.438 g/cm3; (16)Flash Point: 161.721 °C; (17)Enthalpy of Vaporization: 51.564 kJ/mol; (18)Boiling Point: 297.293 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1cccnc12
(2)InChI: InChI=1/C7H4ClN3/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H
(3)InChIKey: PVTHTRIHQGKZNE-UHFFFAOYAM