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CAS No.: | 192323-44-7 |
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Name: | 2-CHLORO-6-FLUOROQUINAZOLIN-4-AMINE |
Molecular Structure: | |
Formula: | C8H5ClFN3 |
Molecular Weight: | 197.5968 |
Synonyms: | 2-CHLORO-6-FLUOROQUINAZOLIN-4-AMINE;4-Amino-2-chloro-6-fluoroquinazoline |
Density: | 1.538 g/cm3 |
Boiling Point: | 317.319 °C at 760 mmHg |
Flash Point: | 145.71 °C |
PSA: | 51.80000 |
LogP: | 2.58570 |
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The CAS registry number of 4-Quinazolinamine, 2-chloro-6-fluoro- is 192323-44-7. This chemical's molecular formula is C8H5ClFN3 and molecular weight is 197.5968. What's more, its IUPAC name is 2-Chloro-6-fluoroquinazolin-4-amine.
Physical properties about 4-Quinazolinamine, 2-chloro-6-fluoro- are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.681; (4)ACD/LogD (pH 7.4): 1.688; (5)ACD/BCF (pH 5.5): 11.102; (6)ACD/BCF (pH 7.4): 11.297; (7)ACD/KOC (pH 5.5): 193.976; (8)ACD/KOC (pH 7.4): 197.379; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 49.403 cm3; (15)Molar Volume: 128.437 cm3; (16)Polarizability: 19.585×10-24 cm3; (17)Surface Tension: 67.562 dyne/cm; (18)Density: 1.538 g/cm3; (19)Flash Point: 145.71 °C; (20)Enthalpy of Vaporization: 55.872 kJ/mol; (21)Boiling Point: 317.319 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1F)c(nc(n2)Cl)N
(2) InChI: InChI=1/C8H5ClFN3/c9-8-12-6-2-1-4(10)3-5(6)7(11)13-8/h1-3H,(H2,11,12,13)
(3) InChIKey: IOIRCNIDSMQRAL-UHFFFAOYAA