4-fluoro-2-(2-nitrophenoxy)benzoic acid

C13H8FNO5 — CID 107016486

IUPAC4-fluoro-2-(2-nitrophenoxy)benzoic acid
SMILESO=C(O)c1ccc(F)cc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FNO5/c14-8-5-6-9(13(16)17)12(7-8)20-11-4-2-1-3-10(11)15(18)19/h1-7H,(H,16,17)
InChIKeyFJNNFAYRJNAXCK-UHFFFAOYSA-N
MW277.21 g/mol
LogP3.22
Rot. Bonds4

About 4-fluoro-2-(2-nitrophenoxy)benzoic acid

4-fluoro-2-(2-nitrophenoxy)benzoic acid (PubChem CID 107016486) has the molecular formula C13H8FNO5 and a molecular weight of 277.21 g/mol. Its IUPAC name is 4-fluoro-2-(2-nitrophenoxy)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(2-nitrophenoxy)benzoic acid
PubChem CID107016486
Molecular FormulaC13H8FNO5
Molecular Weight277.21 g/mol
Exact Mass277.04
IUPAC Name4-fluoro-2-(2-nitrophenoxy)benzoic acid
SMILESO=C(O)c1ccc(F)cc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H8FNO5/c14-8-5-6-9(13(16)17)12(7-8)20-11-4-2-1-3-10(11)15(18)19/h1-7H,(H,16,17)
InChIKeyFJNNFAYRJNAXCK-UHFFFAOYSA-N
XLogP3.22
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-fluoro-2-(2-methyl-3-nitrophenoxy)benzoic acid
CID 107016511
2-(2-nitrophenoxy)benzoic acid
CID 19922477
4-bromo-2-(2-nitrophenoxy)benzoic acid
CID 61031019
2-(5-chloro-2-nitrophenoxy)-4-fluorobenzoic acid
CID 107016662
4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 107016673
1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 60726170
4-fluoro-2-(2-methyl-5-nitrophenoxy)benzoic acid
CID 107016608
4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475
5-bromo-2-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629521
2-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165
2-fluoro-4-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629670
4-chloro-2-(5-chloro-2-nitrophenoxy)benzoic acid
CID 63082703

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-nitrophenoxy)benzoic acid?
The IUPAC name of 4-fluoro-2-(2-nitrophenoxy)benzoic acid (CID 107016486) is 4-fluoro-2-(2-nitrophenoxy)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(2-nitrophenoxy)benzoic acid?
The canonical SMILES for 4-fluoro-2-(2-nitrophenoxy)benzoic acid is O=C(O)c1ccc(F)cc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-(2-nitrophenoxy)benzoic acid?
The InChIKey is FJNNFAYRJNAXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO5/c14-8-5-6-9(13(16)17)12(7-8)20-11-4-2-1-3-10(11)15(18)19/h1-7H,(H,16,17).
What are the key properties of 4-fluoro-2-(2-nitrophenoxy)benzoic acid?
4-fluoro-2-(2-nitrophenoxy)benzoic acid has a molecular weight of 277.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-nitrophenoxy)benzoic acid is sourced from PubChem (CID 107016486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).