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179688-54-1

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Basic Information
CAS No.: 179688-54-1
Name: 4-Chloro-6-acetoxy-7-methoxyquinazoline hydrochloride
Article Data: 14
Molecular Structure:
Molecular Structure of 179688-54-1 (4-Chloro-6-acetoxy-7-methoxyquinazoline hydrochloride)
Formula: C11H9ClN2O3.HCl
Molecular Weight: 289.118
Synonyms: 6-Quinazolinol,4-chloro-7-methoxy-, acetate (ester), monohydrochloride (9CI);4-Chloro-6-acetoxy-7-methoxyquinazolinehydrochloride;
Boiling Point: 393.3 °C at 760 mmHg
Flash Point: 191.6 °C
PSA: 61.31000
LogP: 3.01910
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Specification

The 4-Chloro-6-acetoxy-7-methoxyquinazoline hydrochloride, its cas register number is 179688-54-1. It also can be called as 4-Chloro-7-methoxyquinazolin-6-yl acetate monohydrochloride and the Systematic name about this chemicals is 4-Chloro-7-methoxyquinazolin-6-yl acetate hydrochloride (1:1). Following are the chemical properties about it: (1)Enthalpy of Vaporization: 65.57 kJ/mol ; (2)Vapour Pressure: 1.43E-06 mmHg at 25°C.

This chemical can be described computed from structure:
(1)SMILES: Cl.CC(=O)Oc1cc2c(cc1OC)ncnc2Cl
(2)InChI: InChI=1/C11H9ClN2O3.ClH/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12;/h3-5H,1-2H3;1H
(3)InChIKey: DSYIUUXIRMLRQU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H9ClN2O3.ClH/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12;/h3-5H,1-2H3;1H
(5)Std. InChIKey: DSYIUUXIRMLRQU-UHFFFAOYSA-N