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57381-63-2

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Basic Information
CAS No.: 57381-63-2
Name: 2-Chloro-5-fluorobenzoic acid ethyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 57381-63-2 (2-Chloro-5-fluorobenzoic acid ethyl ester)
Formula: C9H8ClFO2
Molecular Weight: 202.61
Synonyms: Ethyl 2-chloro-5-fluorobenzoate;
Density: 1.266 g/cm3
Boiling Point: 253.4 °C at 760 mmHg
Flash Point: 103.8 °C
PSA: 26.30000
LogP: 2.65580
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Specification

The 2-Chloro-5-fluorobenzoic acid ethyl ester, with the CAS registry number 57381-63-2, is also known as Benzoic acid, 2-chloro-5-fluoro-, ethyl ester. This chemical's molecular formula is C9H8ClFO2 and molecular weight is 202.61. What's more, its systematic name is Ethyl 2-chloro-5-fluorobenzoate.

Physical properties about 2-Chloro-5-fluorobenzoic acid ethyl ester are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 163.48; (6)ACD/BCF (pH 7.4): 163.48; (7)ACD/KOC (pH 5.5): 1336.61; (8)ACD/KOC (pH 7.4): 1336.61; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 47.54 cm3; (15)Molar Volume: 159.9 cm3; (16)Polarizability: 18.84×10-24 cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 103.8 °C; (20)Enthalpy of Vaporization: 49.08 kJ/mol; (21)Boiling Point: 253.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0183 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cc(F)ccc1Cl
(2) InChI: InChI=1/C9H8ClFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
(3) InChIKey: GWENTXANAYAWIK-UHFFFAOYAL