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CAS No.: | 50377-49-6 |
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Name: | 4-chloro-6,7-dimethoxy-2-methylquinazoline |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C11H11ClN2O2 |
Molecular Weight: | 238.674 |
Synonyms: | Quinazoline, 4-chloro-6,7-dimethoxy-2-methyl-; |
EINECS: | 604-604-1 |
Density: | 1.282 g/cm3 |
Boiling Point: | 286.837 °C at 760 mmHg |
Flash Point: | 127.274 °C |
PSA: | 44.24000 |
LogP: | 2.60880 |
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The IUPAC name of this chemical is 4-Chloro-6,7-dimethoxy-2-methyl quinazoline. With the CAS registry number 50377-49-6, it is also named as Quinazoline, 4-chloro-6,7-dimethoxy-2-methyl-. In addition, its molecular formula is C11H11ClN2O2 and molecular weight is 238.673.
Physical properties about the 4-Chloro-6,7-dimethoxy-2-methyl quinazoline are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 173; (8)ACD/KOC (pH 7.4): 173; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.24 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 63.355 cm3; (15)Molar Volume: 186.227 cm3; (16)Surface Tension: 46.482 dyne/cm; (17)Density: 1.282 g/cm3; (18)Flash Point: 127.274 °C; (19)Enthalpy of Vaporization: 50.487 kJ/mol; (20)Boiling Point: 286.837 °C at 760 mmHg; (21)Vapour Pressure: 0.004 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc(nc1c2cc(OC)c(OC)c1)C
(2) InChI: InChI=1/C11H11ClN2O2/c1-6-13-8-5-10(16-3)9(15-2)4-7(8)11(12)14-6/h4-5H,1-3H3
(3) InChIKey: VHTOWTBCVHATEY-UHFFFAOYAJ