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Benzoic acid,4-chloro-2-methoxy-, methyl ester

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Name

Benzoic acid,4-chloro-2-methoxy-, methyl ester

EINECS N/A
CAS No. 78955-90-5 Density 1.228 g/cm3
PSA 35.53000 LogP 2.13520
Solubility N/A Melting Point N/A
Formula C9H9ClO3 Boiling Point 271.4 °C at 760 mmHg
Molecular Weight 200.622 Flash Point 113.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 78955-90-5 (Methyl 4-chloro-2-methoxybenzoate) Hazard Symbols IrritantXi
Synonyms

NSC 300574;Methyl 4-chloro-2-methoxybenzoate;4-Chloro-2-methoxybenzoicacid methyl ester;

Article Data 11

Benzoic acid,4-chloro-2-methoxy-, methyl ester Specification

The Benzoic acid,4-chloro-2-methoxy-, methyl ester, with the CAS registry number 78955-90-5, is also known as 4-Chloro-2-methoxybenzoicacid methyl ester. This chemical's molecular formula is C9H9ClO3 and molecular weight is 200.62. What's more, its systematic name is Methyl 4-chloro-2-methoxybenzoate and it belongs to the product categories of Blocks; Carboxes.

Physical properties of Benzoic acid,4-chloro-2-methoxy-, methyl ester are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.519; (8)Molar Refractivity: 49.59 cm3; (9)Molar Volume: 163.2 cm3; (10)Polarizability: 19.66×10-24 cm3; (11)Surface Tension: 37.7 dyne/cm; (12)Density: 1.228 g/cm3; (13)Flash Point: 113.6 °C; (14)Enthalpy of Vaporization: 50.96 kJ/mol; (15)Boiling Point: 271.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00648 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC(=C1)Cl)C(=O)OC
(2)InChI: InChI=1S/C9H9ClO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
(3)InChIKey: UTEXPQWKBMXWJD-UHFFFAOYSA-N

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