4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate supplier

Name
4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate
EINECS
CAS No. 788136-89-0
Article Data23
CAS DataBase
Density 1.425 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₃ClFN₃O₃
Boiling Point 471.5 °C at 760 mmHg
Molecular Weight 361.76
Flash Point 238.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 73.34000
LogP 4.17280

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate 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 C₁₇H₁₃ClFN₃O₃and 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

Product Name

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate Specification

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