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Basic Information
CAS No.: 42411-39-2
Name: [R,(+)]-2-Chloropropionic acid ethyl ester
Molecular Structure:
Molecular Structure of 42411-39-2 ([R,(+)]-2-Chloropropionic acid ethyl ester)
Formula: C5H9ClO2
Molecular Weight: 136.578
Synonyms: Ethyl (2S)-2-chloropropanoate;
Density: 1.081 g/cm3
Boiling Point: 149 °C at 760 mmHg
Flash Point: 49.5 °C
Appearance: Colorless transparent liquid,
PSA: 26.30000
LogP: 1.17680
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Specification

The Ethyl (S)-(-)-2-chloropropionate, with the CAS registry number of 42411-39-2, is also known as (R)-2-Chloropropionic acid ethyl ester. This chemical's molecular formula is C5H9ClO2 and molecular weight is 136.5768. What's more, its systematic name is called Ethyl (2S)-2-chloropropanoate.

Physical properties about Ethyl (S)-(-)-2-chloropropionate are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.417; (8)Molar Refractivity: 31.79 cm3; (9)Molar Volume: 126.3 cm3; (10)Surface Tension: 28.4 dyne/cm; (11)Density: 1.081 g/cm3; (12)Flash Point: 49.5 °C; (13)Enthalpy of Vaporization: 38.59 kJ/mol; (14)Boiling Point: 149 °C at 760 mmHg; (15)Vapour Pressure: 4.11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl[C@H](C(=O)OCC)C
(2) InChI: InChI=1/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3/t4-/m0/s1
(3) InChIKey: JEAVBVKAYUCPAQ-BYPYZUCNBB