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267243-64-1

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Basic Information
CAS No.: 267243-64-1
Name: N-(3-chloro-4-fluorophenyl)-7-(3-Morpholino propoxy)-6-nitroquinazolin-4-aMine
Article Data: 11
Molecular Structure:
Molecular Structure of 267243-64-1 (N-(3-chloro-4-fluorophenyl)-7-(3-Morpholino propoxy)-6-nitroquinazolin-4-aMine)
Formula: C21H21ClFN5O4
Molecular Weight: 461.88
Synonyms: (3-chloro-4-fluorophenyl)-[7-(3-morpholin-4-yl-propoxy)-6-nitroquinazolin-4-yl]-amine;N-(3-Chloro-4-fluorophenyl)-7-(3-morpholinopropoxy)-6-nitroquinazolin-4-amine;(3-CHLORO-4-FLOUROPHENYL)-[7-(3-MORPHOLIN-4-YL-PROPOXY)-6-NITRO-QUINAZOLINE-4YL]-AMINE;I14-9229;4-[N-(3-chloro-4-fluorophenyl)amino]-7-[3-(4-morpholinyl)propoxy]-6-nitroquinazoline;(3-chloro-4-fluorophenyl)-[7-(3-morpholino-4-yl-propoxy)-6-nitroquinazolin-4-yl]-amine;(3-chloro-4-fluorophenyl)-[7-(3-morpholin-4-yl-propoxy)-6-nitro-quinazoline-4-yl]-amine;
Density: 1.418 g/cm3
Boiling Point: 637.065 °C at 760 mmHg
Flash Point: 339.085 °C
PSA: 105.33000
LogP: 4.70930
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Specification

The chemical with CAS registry number of 267243-64-1 is known as 4-Quinazolinamine,N-(3-chloro-4-fluorophenyl)-7-[3-(4-morpholinyl)propoxy]-6-nitro-. The systematic name is N-(3-Chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine. In addition, the formula is C21H21ClFN5O4 and the molecular weight is 461.87.

Physical properties about 4-Quinazolinamine,N-(3-chloro-4-fluorophenyl)-7-[3-(4-morpholinyl)propoxy]-6-nitro- are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 7.4): 2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 22; (5)ACD/KOC (pH 5.5): 6; (6)ACD/KOC (pH 7.4): 272; (7)#H bond acceptors: 9; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.649; (11)Molar Refractivity: 118.662 cm3; (12)Molar Volume: 325.638 cm3; (13)Surface Tension: 63.568 dyne/cm; (14)Density: 1.418 g/cm3; (15)Flash Point: 339.085 °C; (16)Enthalpy of Vaporization: 94.112 kJ/mol; (17)Boiling Point: 637.065 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: Fc1ccc(cc1Cl)Nc4ncnc3cc(OCCCN2CCOCC2)c([N+]([O-])=O)cc34
2. InChI: InChI=1/C21H21ClFN5O4/c22-16-10-14(2-3-17(16)23)26-21-15-11-19(28(29)30)20(12-18(15)24-13-25-21)32-7-1-4-27-5-8-31-9-6-27/h2-3,10-13H,1,4-9H2,(H,24,25,26)
3. InChIKey: QVZKEQDJKMFEDU-UHFFFAOYAP
4. Std. InChI: InChI=1S/C21H21ClFN5O4/c22-16-10-14(2-3-17(16)23)26-21-15-11-19(28(29)30)20(12-18(15)24-13-25-21)32-7-1-4-27-5-8-31-9-6-27/h2-3,10-13H,1,4-9H2,(H,24,25,26)
5. Std. InChIKey: QVZKEQDJKMFEDU-UHFFFAOYSA-N