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CAS No.: | 202273-25-4 |
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Name: | 6-CHLOROPYRIDO[3,4-D]PYRIMIDINE |
Molecular Structure: | |
Formula: | C7H4ClN3 |
Molecular Weight: | 165.58 |
Synonyms: | 6-Chloropyrido[3,4-d]pyrimidine; |
Density: | 1.438g/cm3 |
Boiling Point: | 318.818 °C at 760 mmHg |
Flash Point: | 176.084 °C |
PSA: | 38.67000 |
LogP: | 1.67820 |
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The 6-Chloropyrido[3,4-d]pyrimidine, with CAS registry number 202273-25-4, belongs to the following product category: Chiral Chemicals. It has the systematic name of 6-chloropyrido[3,4-d]pyrimidine. And the chemical formula of this chemical is C7H4ClN3.
Physical properties of 6-Chloropyrido[3,4-d]pyrimidine: (1)ACD/LogP: 1.02; (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): 26; (8)ACD/KOC (pH 7.4): 26; (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: 1.675; (14)Molar Refractivity: 43.264 cm3; (15)Molar Volume: 115.171 cm3; (16)Polarizability: 17.151×10-24cm3; (17)Surface Tension: 66.93 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 176.084 °C; (20)Enthalpy of Vaporization: 53.804 kJ/mol; (21)Boiling Point: 318.818 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2cncnc2cn1
(2)InChI: InChI=1/C7H4ClN3/c8-7-1-5-2-9-4-11-6(5)3-10-7/h1-4H
(3)InChIKey: OGOPAVRSPJYRLS-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H4ClN3/c8-7-1-5-2-9-4-11-6(5)3-10-7/h1-4H
(5)Std. InChIKey: OGOPAVRSPJYRLS-UHFFFAOYSA-N