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84403-70-3

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Basic Information
CAS No.: 84403-70-3
Name: 4-(3-CHLORO-BENZYLOXY)-BENZOIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 84403-70-3 (4-(3-CHLORO-BENZYLOXY)-BENZOIC ACID)
Formula: C14H11ClO3
Molecular Weight: 262.693
Synonyms: 4-[(3-Chlorobenzyl)oxy]benzoic acid;4-[(3-Chlorophenyl)methoxy]benzoic acid;
Density: 1.322 g/cm3
Boiling Point: 423.4 °C at 760 mmHg
Flash Point: 209.9 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 46.53000
LogP: 3.61720
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Specification

The Benzoic acid,4-[(3-chlorophenyl)methoxy]-, with the CAS registry number 84403-70-3, is also known as 4-[(3-Chlorophenyl)methoxy]benzoic acid. This chemical's molecular formula is C14H11ClO3 and molecular weight is 262.69. What's more, its systematic name is 4-[(3-Chlorobenzyl)oxy]benzoic acid.

Physical properties of Benzoic acid,4-[(3-chlorophenyl)methoxy]- are: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 69.35; (6)ACD/BCF (pH 7.4): 1.59; (7)ACD/KOC (pH 5.5): 345.61; (8)ACD/KOC (pH 7.4): 7.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 69.24 cm3; (15)Molar Volume: 198.6 cm3; (16)Polarizability: 27.45×10-24 cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 209.9 °C; (20)Enthalpy of Vaporization: 71.45 kJ/mol; (21)Boiling Point: 423.4 °C at 760 mmHg; (22)Vapour Pressure: 6.34E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1)COc2ccc(C(=O)O)cc2
(2)InChI: InChI=1/C14H11ClO3/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H,16,17)
(3)InChIKey: QMXPJNHJNFUZAT-UHFFFAOYSA-N