CAS No.104253-44-3,2-CHLORO-4-HYDROXY-BENZOIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104253-44-3
Name:	2-CHLORO-4-HYDROXY-BENZOIC ACID METHYL ESTER
Article Data:	8

Formula:	C₈H₇ClO₃
Molecular Weight:	186.595
Synonyms:	2-Chloro-4-hydroxy-benzoic acid methyl ester;2-Chloro-4-hydroxy-benzoicacidmethylester;
Density:	1.355 g/cm³
Boiling Point:	298.3 °C at 760 mmHg
Flash Point:	134.215 °C
PSA:	46.53000
LogP:	1.83220

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Specification

The Benzoic acid,2-chloro-4-hydroxy-, methyl ester, with the CAS registry number 104253-44-3, is also known as 2-Chloro-4-hydroxy-benzoic acid methyl ester. It belongs to the product categories of Aromatic Esters; Pharmacetical. This chemical's molecular formula is C₈H₇ClO₃ and molecular weight is 186.59. What's more, its systematic name is methyl 2-chloro-4-hydroxybenzoate.

Physical properties of Benzoic acid,2-chloro-4-hydroxy-, methyl ester are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 44; (6)ACD/BCF (pH 7.4): 22; (7)ACD/KOC (pH 5.5): 520; (8)ACD/KOC (pH 7.4): 262; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 44.803 cm³; (15)Molar Volume: 137.707 cm³; (16)Polarizability: 17.761×10^-24cm³; (17)Surface Tension: 48.287 dyne/cm; (18)Density: 1.355 g/cm³; (19)Flash Point: 134.215 °C; (20)Enthalpy of Vaporization: 55.976 kJ/mol; (21)Boiling Point: 298.312 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=C(C=C(C=C1)O)Cl
(2)InChI: InChI=1S/C8H7ClO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3
(3)InChIKey: BJZFMXJQJZUATE-UHFFFAOYSA-N