7-Quinazolinecarboxylic acid, 2,4-dichloro-, methyl ester supplier

Name
Methyl2,4-dichloroquinazoline-7-carboxylate
EINECS
CAS No. 174074-89-6
Article Data3
CAS DataBase
Density 1.496 g/cm³
Solubility
Melting Point
Formula C₁₀H₆Cl₂N₂O₂
Boiling Point 303.3 °C at 760 mmHg
Molecular Weight 257.076
Flash Point 137.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2,4-dichloroquinazoline-7-carboxylate;
PSA 52.08000
LogP 2.72320

7-Quinazolinecarboxylic acid, 2,4-dichloro-, methyl ester Specification

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

Product Name

Methyl2,4-dichloroquinazoline-7-carboxylate

7-Quinazolinecarboxylic acid, 2,4-dichloro-, methyl ester Specification

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