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23055-75-6

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Basic Information
CAS No.: 23055-75-6
Name: 4-Chloro-7-methoxyquinazolin-6-yl acetate
Molecular Structure:
Molecular Structure of 23055-75-6 (4-Chloro-7-methoxyquinazolin-6-yl acetate)
Formula: C11H9ClN2O3
Molecular Weight: 252.6538
Synonyms: 4-Chloro-7-methoxy-quizolin-6-yl acetate
Density: 1.376 g/cm3
Boiling Point: 364.609 °C at 760 mmHg
Flash Point: 174.309 °C
PSA: 61.31000
LogP: 2.21710
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Specification

The systematic name of this chemical is 4-Chloro-7-methoxyquinazolin-6-yl acetate. With the CAS registry number 23055-75-6, it is also named as 6-Quinazolinol, 4-chloro-7-methoxy-, acetate (ester). In addition, its molecular formula is C11H9ClN2O3 and molecular weight is 252.6538.

Physical properties about the 4-Chloro-7-methoxyquinazolin-6-yl acetate are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 69; (8)ACD/KOC (pH 7.4): 69; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.31 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 63.192 cm3; (15)Molar Volume: 183.579 cm3; (16)Surface Tension: 52.206 dyne/cm; (17)Density: 1.376 g/cm3; (18)Flash Point: 174.309 °C; (19)Enthalpy of Vaporization: 61.081 kJ/mol; (20)Boiling Point: 364.609 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)Oc1cc2c(cc1OC)ncnc2Cl
(2) InChI: InChI=1/C11H9ClN2O3/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12/h3-5H,1-2H3
(3) InChIKey: VWBHHSJRPOSFGG-UHFFFAOYAH