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Basic Information
CAS No.: 33371-00-5
Name: 4-Chloro-6,7,8-trimethoxyquinazoline
Article Data: 11
Molecular Structure:
Molecular Structure of 33371-00-5 (4-Chloro-6,7,8-trimethoxyquinazoline)
Formula: C11H11ClN2O3
Molecular Weight: 254.673
Synonyms: 4-chloro-6,7,8-trimethoxy-quinazoline;
EINECS: 251-481-0
Density: 1.313g/cm3
Boiling Point: 372.5 °C at 760 mmHg
Flash Point: 179.1 °C
PSA: 53.47000
LogP: 2.30900
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Specification

The 4-Chloro-6,7,8-trimethoxyquinazoline, with CAS registry number 33371-00-5, has the systematic name of 4-chloro-6,7,8-trimethoxyquinazoline. Besides this, it is also called quinazoline, 4-chloro-6,7,8-trimethoxy-. And the chemical formula of this chemical is C11H11ClN2O3.

Physical properties of 4-Chloro-6,7,8-trimethoxyquinazoline: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.19; (6)ACD/BCF (pH 7.4): 4.19; (7)ACD/KOC (pH 5.5): 97.05; (8)ACD/KOC (pH 7.4): 97.05; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.47 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 65.2 cm3; (15)Molar Volume: 193.9 cm3; (16)Polarizability: 25.85×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Enthalpy of Vaporization: 59.54 kJ/mol; (19)Vapour Pressure: 2.05E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1c2cc(OC)c(OC)c1OC
(2)InChI: InChI=1/C11H11ClN2O3/c1-15-7-4-6-8(13-5-14-11(6)12)10(17-3)9(7)16-2/h4-5H,1-3H3
(3)InChIKey: BIICRHXSGPYQOV-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H11ClN2O3/c1-15-7-4-6-8(13-5-14-11(6)12)10(17-3)9(7)16-2/h4-5H,1-3H3
(5)Std. InChIKey: BIICRHXSGPYQOV-UHFFFAOYSA-N