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3,5-DIHYDROXYBENZOIC ACID 2,2,2-TRICHLOROETHYL ESTER

3,5-DIHYDROXYBENZOIC ACID 2,2,2-TRICHLOROETHYL ESTER

Inquiry

Molecular Formula:

C9H7Cl3O4

Molecular Weight:

285.51

CAS Number:

143330-91-0

Catalog Number:

143330-91-0

Product Information

Molecular Formula:

C9H7Cl3O4

Molecular Weight:

285.51

Description

3,5-Dihydroxybenzoic acid 2,2,2-trichloroethyl ester is an intriguing pharmaceutical compound of substantial significance and holds considerable potential within the biomedical realm as an antifungal agent. Through its remarkable inhibitory prowess exhibited against a diverse range of fungi, particularly the notorious Candida species, this extraordinary product showcases promise in the realm of combating fungal infections.

Synonyms

2,2,2-TRICHLOROETHYL 3,5-DIHYDROXYBENZOATE; ALPHA-RESORCYLIC ACID 2,2,2-TRICHLOROETHYL ESTER; 3,5-DIHYDROXYBENZOIC ACID 2,2,2-TRICHLOROETHYL ESTER; Ca.20%indichloromethane; 3,5-DIHYDROXYBENZOIC ACID 2,2,2-TRICHLOROETHYL ESTER: (CA. 20% IN DICHLOROMETHANE); 2,

IUPAC Name

2,2,2-trichloroethyl 3,5-dihydroxybenzoate

Canonical SMILES

C1=C(C=C(C=C1O)O)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C9H7Cl3O4/c10-9(11,12)4-16-8(15)5-1-6(13)3-7(14)2-5/h1-3,13-14H,4H2

InChI Key

UJFDPTHAQUCMRW-UHFFFAOYSA-N

Boiling Point

447.3ºC at 760 mmHg

Purity

95%

Density

1.632g/cm3

Appearance

Light yellow to Brown clear liquid

Storage

Refrigerator

Safety Information

Hazards

H302 H315 H319 H370 H372 H373 H341 H350 H336 H411

Precautionary Statement

P501 P273 P260 P270 P202 P201 P271 P264 P280 P302 + P352 P391 P337 + P313 P305 + P351 + P338 P308+P311 P362+P364 P332 + P313 P301 + P312 + P330 P304 + P340 + P312 P403 + P233 P405

Computed Properties

XLogP3

2.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

283.940992 g/mol

Monoisotopic Mass

283.940992 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

244

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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3,5-DIHYDROXYBENZOIC ACID 2,2,2-TRICHLOROETHYL ESTER

Product Information

Safety Information

Computed Properties

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