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CAS No.: | 174074-89-6 |
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Name: | Methyl2,4-dichloroquinazoline-7-carboxylate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H6Cl2N2O2 |
Molecular Weight: | 257.076 |
Synonyms: | Methyl 2,4-dichloroquinazoline-7-carboxylate; |
Density: | 1.496 g/cm3 |
Boiling Point: | 303.3 °C at 760 mmHg |
Flash Point: | 137.3 °C |
PSA: | 52.08000 |
LogP: | 2.72320 |
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The 7-Quinazolinecarboxylic acid, 2,4-dichloro-, methyl ester has the CAS registry number 174074-89-6. This chemical's molecular formula is C10H6Cl2N2O2 and molecular weight is 257.08. What's more, its systematic name is methyl 2,4-dichloroquinazoline-7-carboxylate.
Physical properties of 7-Quinazolinecarboxylic acid, 2,4-dichloro-, methyl ester are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 69.05; (6)ACD/BCF (pH 7.4): 69.05; (7)ACD/KOC (pH 5.5): 721.24; (8)ACD/KOC (pH 7.4): 721.24; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 61.84 cm3; (15)Molar Volume: 171.7 cm3; (16)Polarizability: 24.51×10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.496 g/cm3; (19)Flash Point: 137.3 °C; (20)Enthalpy of Vaporization: 54.36 kJ/mol; (21)Boiling Point: 303.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000936 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc2c(c1)nc(nc2Cl)Cl
(2)InChI: InChI=1S/C10H6Cl2N2O2/c1-16-9(15)5-2-3-6-7(4-5)13-10(12)14-8(6)11/h2-4H,1H3
(3)InChIKey: MDGPWZDKZBYRNL-UHFFFAOYSA-N