2,4-difluoro-3-nitrobenzoic acid

C7H3F2NO4 — CID 69257842

IUPAC2,4-difluoro-3-nitrobenzoic acid
SMILESO=C(O)c1ccc(F)c([N+](=O)[O-])c1F
InChIInChI=1S/C7H3F2NO4/c8-4-2-1-3(7(11)12)5(9)6(4)10(13)14/h1-2H,(H,11,12)
InChIKeyKLBZLXKGWAKINA-UHFFFAOYSA-N
MW203.10 g/mol
LogP1.57
Rot. Bonds2

About 2,4-difluoro-3-nitrobenzoic acid

2,4-difluoro-3-nitrobenzoic acid (PubChem CID 69257842) has the molecular formula C7H3F2NO4 and a molecular weight of 203.10 g/mol. Its IUPAC name is 2,4-difluoro-3-nitrobenzoic acid.

Molecular Properties

Compound Name2,4-difluoro-3-nitrobenzoic acid
PubChem CID69257842
Molecular FormulaC7H3F2NO4
Molecular Weight203.10 g/mol
Exact Mass203.00
IUPAC Name2,4-difluoro-3-nitrobenzoic acid
SMILESO=C(O)c1ccc(F)c([N+](=O)[O-])c1F
InChIInChI=1S/C7H3F2NO4/c8-4-2-1-3(7(11)12)5(9)6(4)10(13)14/h1-2H,(H,11,12)
InChIKeyKLBZLXKGWAKINA-UHFFFAOYSA-N
XLogP1.57
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3,4-dinitrobenzoic acid
CID 22925593
3-amino-4-fluoro-2-nitrobenzoic acid
CID 122687122
4-fluoro-3-methyl-2-nitrobenzoic acid
CID 53430691
3,5-difluoro-2-nitrobenzoic acid
CID 2783365
2-(difluoromethoxy)-4-fluoro-3-nitrobenzoic acid
CID 171031938
3-(difluoromethoxy)-4-fluoro-2-nitrobenzoic acid
CID 171031948
2-fluoro-3-methyl-4-nitrobenzoic acid
CID 122405032
4-(2,4-difluoro-3-nitrophenyl)benzoic acid
CID 69349295
2,5-difluoro-3-methyl-4-nitrobenzoic acid
CID 23284780
methyl 3,4-difluoro-2-nitrobenzoate
CID 134648338
1-(4-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 123295309
(2,4-difluoro-3-nitrophenyl)methanol
CID 118991228

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-nitrobenzoic acid?
The IUPAC name of 2,4-difluoro-3-nitrobenzoic acid (CID 69257842) is 2,4-difluoro-3-nitrobenzoic acid.
What is the SMILES notation for 2,4-difluoro-3-nitrobenzoic acid?
The canonical SMILES for 2,4-difluoro-3-nitrobenzoic acid is O=C(O)c1ccc(F)c([N+](=O)[O-])c1F.
What is the InChIKey of 2,4-difluoro-3-nitrobenzoic acid?
The InChIKey is KLBZLXKGWAKINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2NO4/c8-4-2-1-3(7(11)12)5(9)6(4)10(13)14/h1-2H,(H,11,12).
What are the key properties of 2,4-difluoro-3-nitrobenzoic acid?
2,4-difluoro-3-nitrobenzoic acid has a molecular weight of 203.10 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-nitrobenzoic acid is sourced from PubChem (CID 69257842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).