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| CAS No.: | 953039-79-7 |
|---|---|
| Name: | Methyl 2-chloroquinazolin... |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C10H7ClN2O2 |
| Molecular Weight: | 222.631 |
| Synonyms: | methyl 2-chloroquinazolin-7-carboxylate; methyl 2-chloro-quinazoline-7-carboxylate |
| Density: | 1.393 g/cm3 |
| Boiling Point: | 328.627 °C at 760 mmHg |
| Flash Point: | 152.548 °C |
| PSA: | 52.08000 |
| LogP: | 2.06980 |
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Specification
The Methyl 2-chloroquinazoline-7-carboxylate is an organic compound with the formula C10H7ClN2O2. The systematic name of this chemical is methyl 2-chloroquinazoline-7-carboxylate. With the CAS registry number 953039-79-7, it is also named as 2-Chloro-quinazoline-7-carboxylic acid methyl ester.
Physical properties about Methyl 2-chloroquinazoline-7-carboxylate are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.287; (3)ACD/LogD (pH 7.4): 2.287; (4)ACD/BCF (pH 5.5): 32.219; (5)ACD/BCF (pH 7.4): 32.219; (6)ACD/KOC (pH 5.5): 417.952; (7)ACD/KOC (pH 7.4): 417.952; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.08 Å2; (11)Index of Refraction: 1.631; (12)Molar Refractivity: 56.946 cm3; (13)Molar Volume: 159.84 cm3; (14)Polarizability: 22.575×10-24cm3; (15)Surface Tension: 57.483 dyne/cm; (16)Density: 1.393 g/cm3; (17)Flash Point: 152.548 °C; (18)Enthalpy of Vaporization: 57.104 kJ/mol; (19)Boiling Point: 328.627 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc2cnc(nc2c1)Cl
(2)InChI: InChI=1/C10H7ClN2O2/c1-15-9(14)6-2-3-7-5-12-10(11)13-8(7)4-6/h2-5H,1H3
(3)InChIKey: MNAOYMVGZLGOLA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H7ClN2O2/c1-15-9(14)6-2-3-7-5-12-10(11)13-8(7)4-6/h2-5H,1H3
(5)Std. InChIKey: MNAOYMVGZLGOLA-UHFFFAOYSA-N