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Name |
Pyrido[3,2-d]pyrimidine, 7-bromo-4-chloro- |
EINECS | N/A |
CAS No. | 573675-31-7 | Density | 1.861 g/cm3 |
PSA | 38.67000 | LogP | 2.44070 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3BrClN3 | Boiling Point | 334 °C at 760 mmHg |
Molecular Weight | 244.48 | Flash Point | 155.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
7-Bromo-4-chloropyrido[3,2-d]pyrimidine; |
Article Data | 3 |
The Pyrido[3,2-d]pyrimidine, 7-bromo-4-chloro-, with the CAS registry number 573675-31-7, belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C7H3BrClN3 and molecular weight is 244.48. What's more, its systematic name is 7-Bromo-4-chloropyrido[3,2-d]pyrimidine.
Physical properties of Pyrido[3,2-d]pyrimidine, 7-bromo-4-chloro- are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.92; (6)ACD/BCF (pH 7.4): 2.92; (7)ACD/KOC (pH 5.5): 74.88; (8)ACD/KOC (pH 7.4): 74.88; (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: 1.703; (14)Molar Refractivity: 50.95 cm3; (15)Molar Volume: 131.3 cm3; (16)Polarizability: 20.19×10-24 cm3; (17)Surface Tension: 69.9 dyne/cm; (18)Density: 1.861 g/cm3; (19)Flash Point: 155.8 °C; (20)Enthalpy of Vaporization: 55.4 kJ/mol; (21)Boiling Point: 334 °C at 760 mmHg; (22)Vapour Pressure: 0.000256 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1cc(Br)cnc12
(2)InChI: InChI=1S/C7H3BrClN3/c8-4-1-5-6(10-2-4)7(9)12-3-11-5/h1-3H
(3)InChIKey: POZFSLLRNAMHBC-UHFFFAOYSA-N