5-Fluoro-2-formylbenzoic acid

CAS

920481-01-2

Catalog Number

ACM920481012

Category

Other Products

Molecular Weight

168.13

Molecular Formula

C8H5FO3

MSDS COA Spec Sheet

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Specification

Synonyms

5-Fluoro-2-formylbenzoic acid, 5-fluoro-2-formyl-benzoic acid, 920481-01-2, CTK5H0845, MolPort-004-962-313, AKOS005209318, AG-H-77820, KB-99136, KB-245946

IUPAC Name

5-fluoro-2-formylbenzoic acid

Canonical SMILES

C1=CC(=C(C=C1F)C(=O)O)C=O

InChI Key

ZRTCSMCEKXQYMJ-UHFFFAOYSA-N

Boiling Point

327.6ºC at 760 mmHg

Flash Point

151.9ºC

Density

1.426g/cm³

Exact Mass

168.02200

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 5-Fluoro-2-formylbenzoic acid?

The molecular formula of 5-Fluoro-2-formylbenzoic acid is C8H5FO3.

What is the molecular weight of 5-Fluoro-2-formylbenzoic acid?

The molecular weight of 5-Fluoro-2-formylbenzoic acid is 168.12 g/mol.

What is the IUPAC name of 5-Fluoro-2-formylbenzoic acid?

The IUPAC name of 5-Fluoro-2-formylbenzoic acid is 5-fluoro-2-formylbenzoic acid.

What is the InChI of 5-Fluoro-2-formylbenzoic acid?

The InChI of 5-Fluoro-2-formylbenzoic acid is InChI=1S/C8H5FO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12).

What is the InChIKey of 5-Fluoro-2-formylbenzoic acid?

The InChIKey of 5-Fluoro-2-formylbenzoic acid is ZRTCSMCEKXQYMJ-UHFFFAOYSA-N.

What is the CAS number of 5-Fluoro-2-formylbenzoic acid?

The CAS number of 5-Fluoro-2-formylbenzoic acid is 920481-01-2.

How many hydrogen bond donor count does 5-Fluoro-2-formylbenzoic acid have?

5-Fluoro-2-formylbenzoic acid has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does 5-Fluoro-2-formylbenzoic acid have?

5-Fluoro-2-formylbenzoic acid has 4 hydrogen bond acceptor count.

What is the topological polar surface area of 5-Fluoro-2-formylbenzoic acid?

The topological polar surface area of 5-Fluoro-2-formylbenzoic acid is 54.4 Å2.

Downstream Synthesis Route 1

120-72-9
920481-01-2

1058165-07-3

Reference: [1]Tetrahedron Letters,2008,vol. 49,p. 5343 - 5346

Downstream Synthesis Route 2

920481-01-2
77-78-1

1194374-71-4

Reference: [1]Organic Letters,2014,vol. 16,p. 6366 - 6369
[2]Journal of Organic Chemistry,2010,vol. 75,p. 368 - 374
[3]Tetrahedron Letters,2018,p. 1564 - 1567

* For details of the synthesis route, please refer to the original source to ensure accuracy.