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72700-23-3

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Basic Information
CAS No.: 72700-23-3
Name: 4-Chloro-6,7-methylenedioxyquinazoline
Article Data: 6
Molecular Structure:
Molecular Structure of 72700-23-3 (4-Chloro-6,7-methylenedioxyquinazoline)
Formula: C9H5ClN2O2
Molecular Weight: 208.604
Synonyms: 4-Chloro-6,7-methylenedioxyquinazoline
Density: 1.566 g/cm3
Boiling Point: 360.3 °C at 760 mmHg
Flash Point: 171.7 °C
PSA: 44.24000
LogP: 2.01190
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Specification

The CAS registry number of 1,3-Dioxolo[4,5-g]quinazoline,8-chloro- is 72700-23-3. It belongs to the product category of Heterocycles series. This chemical's molecular formula is C9H5ClN2O2 and molecular weight is 208.6012. What's more, its systematic name is 8-Chloro-[1,3]dioxolo[4,5-g]quinazoline.

Physical properties about 1,3-Dioxolo[4,5-g]quinazoline,8-chloro- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)ACD/BCF (pH 5.5): 8.78; (6)ACD/BCF (pH 7.4): 8.78; (7)ACD/KOC (pH 5.5): 164.79; (8)ACD/KOC (pH 7.4): 164.79; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.24 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 51.33 cm3; (15)Molar Volume: 133.1 cm3; (16)Polarizability: 20.35×10-24 cm3; (17)Surface Tension: 74.1 dyne/cm; (18)Density: 1.566 g/cm3; (19)Flash Point: 171.7 °C; (20)Enthalpy of Vaporization: 58.22 kJ/mol; (21)Boiling Point: 360.3 °C at 760 mmHg; (22)Vapour Pressure: 4.63E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c2c(cc3c1OCO3)ncnc2Cl
(2) InChI: InChI=1/C9H5ClN2O2/c10-9-5-1-7-8(14-4-13-7)2-6(5)11-3-12-9/h1-3H,4H2
(3) InChIKey: RZCJSVRGPHXBSM-UHFFFAOYAU