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| CAS No.: | 162364-72-9 |
|---|---|
| Name: | 7-Benzyloxy-4-chloro-6-methoxyquinazoline |
| Molecular Structure: | |
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| Formula: | C16H13ClN2O2 |
| Molecular Weight: | 300.744 |
| Synonyms: | 4-Chloro-6-methoxy-7-benzyloxyquinazoline; |
| EINECS: | 810-462-2 |
| Density: | 1.304 g/cm3 |
| Boiling Point: | 452.06 °C at 760 mmHg |
| Flash Point: | 227.198 °C |
| PSA: | 44.24000 |
| LogP: | 3.87080 |
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Specification
The 7-Benzyloxy-4-chloro-6-methoxyquinazoline is also called 4-Chloro-6-methoxy-7-benzyloxyquinazoline . Its cas registry number is 162364-72-9. Its systematic name is called this name. And its IUPAC name is called 4-chloro-6-methoxy-7-phenylmethoxyquinazoline .
Physical properties about this chemical are: (1) ACD/LogP: 2.37 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 2 ; (4) ACD/LogD (pH 7.4): 2 ; (5) ACD/BCF (pH 5.5): 37 ; (6) ACD/BCF (pH 7.4): 37 ; (7) ACD/KOC (pH 5.5): 463 ; (8) ACD/KOC (pH 7.4): 463 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 4 ; (12) Polar Surface Area: 44.24 Å2 ; (13) Index of Refraction: 1.639 ; (14) Molar Refractivity: 83.017 cm3 ; (15) Molar Volume: 230.654 cm3 ; (16) Surface Tension: 52.462 dyne/cm ; (17) Density: 1.304 g/cm3 ; (18) Flash Point: 227.198 °C ; (19) Enthalpy of Vaporization: 68.389 kJ/mol ; (20) Boiling Point: 452.06 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1) SMILES:COc1cc2c(cc1OCc3ccccc3)ncnc2Cl;
(2) InChI:InChI=1/C16H13ClN2O2/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3;
(3) InChIKey:LBGIYCBNJBHZSZ-UHFFFAOYAW