Structure

2,5-Difluoro-4-methylbenzoic acid

CAS
103877-80-1
Catalog Number
ACM103877801
Category
Other Products
Molecular Weight
172.13
Molecular Formula
C8H6F2O2

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Specification

Synonyms
2,5-DIFLUORO-4-METHYLBENZOIC ACID;Benzoic acid, 2,5-difluoro-4-Methyl-
Supplemental Hazard Statements
H315-H319-H335
Symbol
GHS07
What is the molecular formula of 2,5-Difluoro-4-methylbenzoic acid?

The molecular formula is C8H6F2O2.

What is the molecular weight of 2,5-Difluoro-4-methylbenzoic acid?

The molecular weight is 172.13 g/mol.

What is the IUPAC name of 2,5-Difluoro-4-methylbenzoic acid?

The IUPAC name is 2,5-difluoro-4-methylbenzoic acid.

What is the Canonical SMILES representation of 2,5-Difluoro-4-methylbenzoic acid?

The Canonical SMILES representation is CC1=CC(=C(C=C1F)C(=O)O)F.

What is the InChIKey of 2,5-Difluoro-4-methylbenzoic acid?

The InChIKey is PWWMQUUDAAWEBK-UHFFFAOYSA-N.

What is the European Community (EC) Number of 2,5-Difluoro-4-methylbenzoic acid?

The EC Number is 676-403-6.

What is the XLogP3-AA value of 2,5-Difluoro-4-methylbenzoic acid?

The XLogP3-AA value is 2.

How many hydrogen bond acceptors does 2,5-Difluoro-4-methylbenzoic acid have?

It has 4 hydrogen bond acceptors.

What is the topological polar surface area of 2,5-Difluoro-4-methylbenzoic acid?

The topological polar surface area is 37.3 Ǻ².

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized.

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