2-(2-nitrophenoxy)benzoic acid

C13H9NO5 — CID 19922477

IUPAC2-(2-nitrophenoxy)benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9NO5/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)
InChIKeyOTOXLRMIWPXHRC-UHFFFAOYSA-N
MW259.22 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-nitrophenoxy)benzoic acid

2-(2-nitrophenoxy)benzoic acid (PubChem CID 19922477) has the molecular formula C13H9NO5 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-nitrophenoxy)benzoic acid
PubChem CID19922477
Molecular FormulaC13H9NO5
Molecular Weight259.22 g/mol
Exact Mass259.05
IUPAC Name2-(2-nitrophenoxy)benzoic acid
SMILESO=C(O)c1ccccc1Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9NO5/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)
InChIKeyOTOXLRMIWPXHRC-UHFFFAOYSA-N
XLogP3.09
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 53.09
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

2-(2-methyl-3-nitrophenoxy)benzoic acid
CID 14920125
4-fluoro-2-(2-nitrophenoxy)benzoic acid
CID 107016486
4-bromo-2-(2-nitrophenoxy)benzoic acid
CID 61031019
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
2-(2-methyl-6-nitrophenoxy)benzoic acid
CID 115554008
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 578334
benzene;2-nitrobenzoic acid
CID 19891435
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-(4-nitrophenoxy)benzoic acid
CID 139059188
sodium;hydride;2-nitrobenzoic acid
CID 173210089
2-[(3,5-dinitro-2-pyridinyl)oxy]benzoic acid
CID 134120284
2-(3-cyano-2-nitrophenoxy)benzoic acid
CID 104720137

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)benzoic acid?
The IUPAC name of 2-(2-nitrophenoxy)benzoic acid (CID 19922477) is 2-(2-nitrophenoxy)benzoic acid.
What is the SMILES notation for 2-(2-nitrophenoxy)benzoic acid?
The canonical SMILES for 2-(2-nitrophenoxy)benzoic acid is O=C(O)c1ccccc1Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenoxy)benzoic acid?
The InChIKey is OTOXLRMIWPXHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO5/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16).
What are the key properties of 2-(2-nitrophenoxy)benzoic acid?
2-(2-nitrophenoxy)benzoic acid has a molecular weight of 259.22 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)benzoic acid is sourced from PubChem (CID 19922477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).