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1223748-36-4

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Basic Information
CAS No.: 1223748-36-4
Name: 4-Chloro-6-isopropoxyquinazoline
Molecular Structure:
Molecular Structure of 1223748-36-4 (4-Chloro-6-isopropoxyquinazoline)
Formula: C11H11ClN2O
Molecular Weight: 222.67084
Synonyms: 4-Chloro-6-isopropoxy-quinazoline;
Density: 1.242 g/cm3
Boiling Point: 339.952 °C at 760 mmHg
Flash Point: 159.397 °C
PSA: 35.01000
LogP: 3.07040
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Specification

The 4-Chloro-6-isopropoxyquinazoline, with the CAS registry number of 1223748-36-4, is also known as 4-Chloro-6-isopropoxy-quinazoline. Its molecular formula is C11H11ClN2O and molecular weight is 222.67084. What's more, its IUPAC name is 4-Chloro-6-propan-2-yloxyquinazoline.

Physical properties about the 4-Chloro-6-isopropoxyquinazoline are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.519; (4)ACD/LogD (pH 7.4): 2.519; (5)ACD/BCF (pH 5.5): 48.329; (6)ACD/BCF (pH 7.4): 48.33; (7)ACD/KOC (pH 5.5): 558.689; (8)ACD/KOC (pH 7.4): 558.697; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 61.076 cm3; (15)Molar Volume: 179.34 cm3; (16)Surface Tension: 46.729 dyne/cm; (17)Density: 1.242 g/cm3; (18)Flash Point: 159.397 °C; (19)Enthalpy of Vaporization: 56.035 kJ/mol; (20)Boiling Point: 339.952 °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(C)Oc1ccc2c(c1)c(ncn2)Cl
(2) InChI: InChI=1/C11H11ClN2O/c1-7(2)15-8-3-4-10-9(5-8)11(12)14-6-13-10/h3-7H,1-2H3
(3) InChIKey: FKMDJWCZSDSMHV-UHFFFAOYAS