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205985-98-4

Basic Information
CAS No.: 205985-98-4
Name: METHYL 2-CHLOROBENZOYLACETATE, 97
Article Data: 13
Molecular Structure:
Molecular Structure of 205985-98-4 (METHYL 2-CHLOROBENZOYLACETATE, 97)
Formula: C10H9ClO3
Molecular Weight: 212.633
Synonyms: Methyl 3-(2-chlorophenyl)-3-oxopropanoate;
Density: 1.255 g/cm3
Melting Point: 25°C
Boiling Point: 262.6 °C at 760 mmHg
Flash Point: 104.4 °C
PSA: 43.37000
LogP: 2.08580
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  • 205985-98-4METHYL 2-CHLOROBENZOYLACETATE, 97  CAS NO.205985-98-4

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Specification

The Methyl 3-(2-chlorophenyl)-3-oxo-propanoate, with the CAS registry number 205985-98-4, is also known as Methyl 2-chlorobenzoylacetate. This chemical's molecular formula is C10H9ClO3 and molecular weight is 212.631. What's more, both its IUPAC name and systematic name are the same which is called Methyl 3-(2-chlorophenyl)-3-oxopropanoate. It is clear colorless to light yellow liquid and it should be kept in a cold and dry place.

Physical properties about Methyl 3-(2-chlorophenyl)-3-oxo-propanoate are: (1) ACD/LogP: 1.76; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 43.37 Å2; (7) Index of Refraction: 1.528; (8) Molar Refractivity: 52.21 cm3; (9)Molar Volume: 169.4 cm3; (10) Surface Tension: 42.5 dyne/cm; (11) Density: 1.255 g/cm3; (12) Flash Point: 104.4 °C; (13) Enthalpy of Vaporization: 50.04 kJ/mol; (14) Boiling Point: 262.6 °C at 760 mmHg; (15) Vapour Pressure: 0.0108 mmHg at 25 °C; (16) Melting Point: 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1Cl)CC(=O)OC
(2) InChI: InChI=1/C10H9ClO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
(3) InChIKey: DMVAIJCMWPNOKV-UHFFFAOYAR