Structure

Methyl 5-bromo-4-chloro-2-fluorobenzoate

Catalog Number
ACMA00001831
Category
Aryl Fluorinated Building Blocks
Molecular Weight
267.48
Molecular Formula
C8H4FNO2

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Specification

Hazard Statements
H315-H319-H335
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of Methyl 5-bromo-4-chloro-2-fluorobenzoate?

The molecular formula of Methyl 5-bromo-4-chloro-2-fluorobenzoate is C8H5BrClFO2.

When was Methyl 5-bromo-4-chloro-2-fluorobenzoate created and modified according to PubChem?

Methyl 5-bromo-4-chloro-2-fluorobenzoate was created on 2009-05-28 and modified on 2023-12-23.

What is the IUPAC name of Methyl 5-bromo-4-chloro-2-fluorobenzoate?

The IUPAC name of Methyl 5-bromo-4-chloro-2-fluorobenzoate is methyl 5-bromo-4-chloro-2-fluorobenzoate.

What is the InChIKey of Methyl 5-bromo-4-chloro-2-fluorobenzoate?

The InChIKey of Methyl 5-bromo-4-chloro-2-fluorobenzoate is CCCDFCRHGYGKGP-UHFFFAOYSA-N.

What is the Canonical SMILES of Methyl 5-bromo-4-chloro-2-fluorobenzoate?

The Canonical SMILES of Methyl 5-bromo-4-chloro-2-fluorobenzoate is COC(=O)C1=CC(=C(C=C1F)Cl)Br.

What is the molecular weight of Methyl 5-bromo-4-chloro-2-fluorobenzoate?

The molecular weight of Methyl 5-bromo-4-chloro-2-fluorobenzoate is 267.48 g/mol.

What is the XLogP3-AA value of Methyl 5-bromo-4-chloro-2-fluorobenzoate?

The XLogP3-AA value of Methyl 5-bromo-4-chloro-2-fluorobenzoate is 3.2.

How many hydrogen bond acceptors does Methyl 5-bromo-4-chloro-2-fluorobenzoate have?

Methyl 5-bromo-4-chloro-2-fluorobenzoate has 3 hydrogen bond acceptors.

What is the topological polar surface area of Methyl 5-bromo-4-chloro-2-fluorobenzoate?

The topological polar surface area of Methyl 5-bromo-4-chloro-2-fluorobenzoate is 26.3 Ų.

Is the compound Methyl 5-bromo-4-chloro-2-fluorobenzoate canonicalized?

Yes, the compound Methyl 5-bromo-4-chloro-2-fluorobenzoate is canonicalized according to PubChem.

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