CAS No.196603-96-0,4-(4-bromo-2-fluorophenylamino)-6-methoxyquinazolin-7-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	196603-96-0
Name:	4-(4-bromo-2-fluorophenylamino)-6-methoxyquinazolin-7-ol
Article Data:	16

Formula:	C₁₅H₁₁BrFN₃O₂
Molecular Weight:	364.174
Synonyms:	4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-ol;
EINECS:	688-137-8
Density:	1.664 g/cm³
Melting Point:	268-270 °C
Boiling Point:	470.985 °C at 760 mmHg
Flash Point:	238.643 °C
PSA:	67.27000
LogP:	4.06220

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Specification

The 7-Quinazolinol, 4-[(4-bromo-2-fluorophenyl)amino]-6-methoxy- with CAS registry number of 196603-96-0 is also known as 4-(4-Bromo-2-fluoroanilino)-7-hydroxy-6-methoxyquinazoline. The systematic name is 4-[(4-Bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-ol. In addition, the formula is C₁₅H₁₁BrFN₃O₂ and the molecular weight is 364.17.

Physical properties about 7-Quinazolinol, 4-[(4-bromo-2-fluorophenyl)amino]-6-methoxy- are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 41; (5)ACD/BCF (pH 7.4): 20; (6)ACD/KOC (pH 5.5): 483; (7)ACD/KOC (pH 7.4): 232; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.714; (12)Molar Refractivity: 85.897 cm³; (13)Molar Volume: 218.864 cm³; (14)Surface Tension: 65.252 dyne/cm; (15)Density: 1.664 g/cm³; (16)Flash Point: 238.643 °C; (17)Enthalpy of Vaporization: 76.168 kJ/mol; (18)Boiling Point: 470.985 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: Brc3ccc(Nc2ncnc1cc(O)c(cc12)OC)c(F)c3
2. InChI: InChI=1/C15H11BrFN3O2/c1-22-14-5-9-12(6-13(14)21)18-7-19-15(9)20-11-3-2-8(16)4-10(11)17/h2-7,21H,1H3,(H,18,19,20)
3. InChIKey: XIHOMGRMQWNHHB-UHFFFAOYAY
4. Std. InChI: InChI=1S/C15H11BrFN3O2/c1-22-14-5-9-12(6-13(14)21)18-7-19-15(9)20-11-3-2-8(16)4-10(11)17/h2-7,21H,1H3,(H,18,19,20)
5. Std. InChIKey: XIHOMGRMQWNHHB-UHFFFAOYSA-N