CAS No.20896-27-9,4-AMINO-5-CHLORO-2-ETHOXYBENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20896-27-9
Name:	4-AMINO-5-CHLORO-2-ETHOXYBENZOIC ACID
Article Data:	21

Formula:	C₉H₁₀ClNO₃
Molecular Weight:	215.636
Synonyms:	o-Anisicacid, 4-amino-5-chloro-, methyl ester (8CI);4-Amino-5-chloro-2-methoxybenzoicacid, methyl ester;Methyl 2-methoxy-4-amino-5-chlorobenzoate;Methyl4-amino-5-chloro-2-methoxybenzoate;Methyl 4-amino-5-chloro-o-anisate;
Density:	1.302 g/cm³
Boiling Point:	372.255 °C at 760 mmHg
Flash Point:	178.934 °C
Appearance:	White solid
PSA:	61.55000
LogP:	2.29860

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Specification

The Benzoicacid, 4-amino-5-chloro-2-methoxy-, methyl ester, with CAS registry number 20896-27-9, belongs to the following product categories: (1)Aromatic Esters; (2)Aromatics. It has the systematic name of methyl 4-amino-5-chloro-2-methoxybenzoate. This chemical is a kind of white solid. And the chemical formula of this chemical is C₉H₁₀ClNO₃.

Physical properties of Benzoicacid, 4-amino-5-chloro-2-methoxy-, methyl ester: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.04; (6)ACD/BCF (pH 7.4): 37.04; (7)ACD/KOC (pH 5.5): 461.85; (8)ACD/KOC (pH 7.4): 461.85; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 53.83 cm³; (15)Molar Volume: 165.5 cm³; (16)Polarizability: 21.34×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.302 g/cm³; (19)Flash Point: 178.9 °C; (20)Enthalpy of Vaporization: 61.94 kJ/mol; (21)Boiling Point: 372.3 °C at 760 mmHg; (22)Vapour Pressure: 9.74E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OC)cc1N)C(=O)OC
(2)InChI: InChI=1/C9H10ClNO3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,11H2,1-2H3
(3)InChIKey: ALYQFGBPEGLBLW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H10ClNO3/c1-13-8-4-7(11)6(10)3-5(8)9(12)14-2/h3-4H,11H2,1-2H3
(5)Std. InChIKey: ALYQFGBPEGLBLW-UHFFFAOYSA-N