5-Fluorobenzooxazole-2-carboxylic acid

CAS

944898-49-1

Catalog Number

ACM944898491

Category

Other Products

Molecular Weight

181.120663 [g/mol]

Molecular Formula

C₈H₄FNO₃

MSDS COA Spec Sheet

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Specification

Synonyms

5-FLUORO-BENZOOXAZOLE-2-CARBOXYLIC ACID, 944898-49-1, SureCN3640998, AKOS006302481, AB57667, 5-FLUOROBENZO[D]OXAZOLE-2-CARBOXYLIC ACID, 5-FLUORO-1,3-BENZOXAZOLE-2-CARBOXYLIC ACID

IUPAC Name

5-fluoro-1,3-benzoxazole-2-carboxylic acid

Canonical SMILES

C1=CC2=C(C=C1F)N=C(O2)C(=O)O

InChI Key

IVWRUQHCOXUMAX-UHFFFAOYSA-N

Exact Mass

181.01800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 5-Fluorobenzooxazole-2-carboxylic acid?

The molecular formula of 5-Fluorobenzooxazole-2-carboxylic acid is C8H4FNO3.

What is the molecular weight of 5-Fluorobenzooxazole-2-carboxylic acid?

The molecular weight of 5-Fluorobenzooxazole-2-carboxylic acid is 181.12 g/mol.

What is the IUPAC name of 5-Fluorobenzooxazole-2-carboxylic acid?

The IUPAC name of 5-Fluorobenzooxazole-2-carboxylic acid is 5-fluoro-1,3-benzoxazole-2-carboxylic acid.

What is the InChI of 5-Fluorobenzooxazole-2-carboxylic acid?

The InChI of 5-Fluorobenzooxazole-2-carboxylic acid is InChI=1S/C8H4FNO3/c9-4-1-2-6-5(3-4)10-7(13-6)8(11)12/h1-3H,(H,11,12).

What is the InChIKey of 5-Fluorobenzooxazole-2-carboxylic acid?

The InChIKey of 5-Fluorobenzooxazole-2-carboxylic acid is IVWRUQHCOXUMAX-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Fluorobenzooxazole-2-carboxylic acid?

The canonical SMILES of 5-Fluorobenzooxazole-2-carboxylic acid is C1=CC2=C(C=C1F)N=C(O2)C(=O)O.

What is the CAS number of 5-Fluorobenzooxazole-2-carboxylic acid?

The CAS number of 5-Fluorobenzooxazole-2-carboxylic acid is 944898-49-1.

What is the XLogP3 value of 5-Fluorobenzooxazole-2-carboxylic acid?

The XLogP3 value of 5-Fluorobenzooxazole-2-carboxylic acid is 2.1.

How many hydrogen bond acceptor counts does 5-Fluorobenzooxazole-2-carboxylic acid have?

5-Fluorobenzooxazole-2-carboxylic acid has 5 hydrogen bond acceptor counts.

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