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39062-63-0

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Basic Information
CAS No.: 39062-63-0
Name: BENZOIC ACID, 2-CHLORO-5-HYDROXY-, ETHYL ESTER
Molecular Structure:
Molecular Structure of 39062-63-0 (BENZOIC ACID, 2-CHLORO-5-HYDROXY-, ETHYL ESTER)
Formula: C9H9ClO3
Molecular Weight: 200.622
Synonyms: Benzoic acid, 2-chloro-5-hydroxy-, ethyl ester;
Density: 1.3 g/cm3
Boiling Point: 331 °C at 760 mmHg
Flash Point: 154 °C
PSA: 46.53000
LogP: 2.22230
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Specification

The Ethyl 2-chloro-5-hydroxybenzoate, with the CAS registry number 39062-63-0, is also known as Benzoic acid, 2-chloro-5-hydroxy-, ethyl ester. This chemical's molecular formula is C9H9ClO3 and molecular weight is 200.619. What's more, its IUPAC name is Ethyl 2-chloro-5-hydroxybenzoate.

Physical properties about Ethyl 2-chloro-5-hydroxybenzoate are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.04; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 46.53 Å2; (9)Index of Refraction: 1.554; (10)Molar Refractivity: 49.43 cm3; (11)Molar Volume: 154.2 cm3; (12)Polarizability: 19.59×10-24 cm3; (13)Surface Tension: 46.5 dyne/cm; (14)Density: 1.3 g/cm3; (15)Flash Point: 154 °C; (16)Enthalpy of Vaporization: 59.64 kJ/mol; (17)Boiling Point: 331 °C at 760 mmHg; (18)Vapour Pressure: 8.3E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cc(O)ccc1Cl
(2) InChI: InChI=1/C9H9ClO3/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5,11H,2H2,1H3
(3) InChIKey: NWGGURBVGOTSEH-UHFFFAOYAP