4,5-Difluoro-2-nitrobenzoic acid

• CAS: 20372-63-8
• Catalog Number: ACM20372638
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 203.1
• Molecular Formula: C7H3F2NO4
• Synonyms: Benzoic acid, 4,5-difluoro-2-nitro-
• IUPAC Name: 4,5-difluoro-2-nitrobenzoic acid
• Canonical SMILES: C1=C(C(=CC(=C1F)F)[N+](=O)[O-])C(=O)O
• InChI: InChI=1S/C7H3F2NO4/c8-4-1-3(7(11)12)6(10(13)14)2-5(4)9/h1-2H,(H,11,12)
• InChI Key: HGGRAOYTQNFGGN-UHFFFAOYSA-N
• Boiling Point: 349.7±42.0 ºC
• Melting Point: 165-167 ºC (lit.)
• Density: 1.661±0.06 g/ml
• Hazard Statements: H302-H312-H332
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4,5-Difluoro-2-nitrobenzoic acid?

The molecular formula of 4,5-Difluoro-2-nitrobenzoic acid is C7H3F2NO4.

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

The molecular weight of 4,5-Difluoro-2-nitrobenzoic acid is 203.10 g/mol.

What are some of the synonyms for 4,5-Difluoro-2-nitrobenzoic acid?

Some synonyms for 4,5-Difluoro-2-nitrobenzoic acid are 20372-63-8, 4,5-Difluoro-2-nitrobenzoicacid, MFCD00799521, and 2-NITRO-4,5-DIFLUOROBENZOIC ACID.

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

The InChIKey of 4,5-Difluoro-2-nitrobenzoic acid is HGGRAOYTQNFGGN-UHFFFAOYSA-N.

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

The XLogP3 value of 4,5-Difluoro-2-nitrobenzoic acid is 1.7.

How many hydrogen bond donor counts does 4,5-Difluoro-2-nitrobenzoic acid have?

4,5-Difluoro-2-nitrobenzoic acid has 1 hydrogen bond donor count.

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

The topological polar surface area of 4,5-Difluoro-2-nitrobenzoic acid is 83.1 Ų.

How many rotatable bond counts does 4,5-Difluoro-2-nitrobenzoic acid have?

4,5-Difluoro-2-nitrobenzoic acid has 1 rotatable bond count.

Is 4,5-Difluoro-2-nitrobenzoic acid a canonicalized compound?

Yes, 4,5-Difluoro-2-nitrobenzoic acid is a canonicalized compound.

When was 4,5-Difluoro-2-nitrobenzoic acid last modified?

4,5-Difluoro-2-nitrobenzoic acid was last modified on December 23, 2023.