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| CAS No.: | 788136-89-0 |
|---|---|
| Name: | 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C17H13ClFN3O3 |
| Molecular Weight: | 361.76 |
| Synonyms: | 6-Quinazolinol,4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, acetate (ester) (9CI);6-Acetoxy-4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazoline;4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol 6-acetate; |
| Density: | 1.425 g/cm3 |
| Boiling Point: | 471.5 °C at 760 mmHg |
| Flash Point: | 238.9 °C |
| PSA: | 73.34000 |
| LogP: | 4.17280 |
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Specification
The CAS register number of 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate is 788136-89-0. It also can be called as 6-Quinazolinol,4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-, 6-acetate and the systematic name about this chemical is 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl acetate. The molecular formula about this chemical is C17H13ClFN3O3 and the molecular weight is 361.75.
Physical properties about 4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate are: (1)ACD/LogP: 3.75; (2)ACD/LogD (pH 5.5): 3.7; (3)ACD/LogD (pH 7.4): 3.75; (4)ACD/BCF (pH 5.5): 368.61; (5)ACD/BCF (pH 7.4): 416.21; (6)ACD/KOC (pH 5.5): 2309.74; (7)ACD/KOC (pH 7.4): 2607.97; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 73.34Å2; (12)Index of Refraction: 1.649; (13)Molar Refractivity: 92.56 cm3; (14)Molar Volume: 253.8 cm3; (15)Polarizability: 36.69x10-24cm3; (16)Surface Tension: 55.8 dyne/cm; (17)Enthalpy of Vaporization: 73.42 kJ/mol; (18)Boiling Point: 471.5 °C at 760 mmHg; (19)Vapour Pressure: 4.65E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1Cl)Nc3ncnc2cc(OC)c(cc23)OC(C)=O
(2)InChI: InChI=1/C17H13ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8H,1-2H3,(H,20,21,22)
(3)InChIKey: ANGPUOTYQQFHKN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C17H13ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8H,1-2H3,(H,20,21,22)
(5)Std. InChIKey: ANGPUOTYQQFHKN-UHFFFAOYSA-N