(4-hydroxy-3-nitrophenyl)arsonic acid

C6H6AsNO6 — CID 5104

IUPAC(4-hydroxy-3-nitrophenyl)arsonic acid
SMILESO=[N+]([O-])c1cc([As](=O)(O)O)ccc1O
InChIInChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)
InChIKeyXMVJITFPVVRMHC-UHFFFAOYSA-N
MW263.04 g/mol
LogP-1.14
Rot. Bonds2

About (4-hydroxy-3-nitrophenyl)arsonic acid

(4-hydroxy-3-nitrophenyl)arsonic acid (PubChem CID 5104) has the molecular formula C6H6AsNO6 and a molecular weight of 263.04 g/mol. Its IUPAC name is (4-hydroxy-3-nitrophenyl)arsonic acid.

Molecular Properties

Compound Name(4-hydroxy-3-nitrophenyl)arsonic acid
PubChem CID5104
Molecular FormulaC6H6AsNO6
Molecular Weight263.04 g/mol
Exact Mass262.94
IUPAC Name(4-hydroxy-3-nitrophenyl)arsonic acid
SMILESO=[N+]([O-])c1cc([As](=O)(O)O)ccc1O
InChIInChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)
InChIKeyXMVJITFPVVRMHC-UHFFFAOYSA-N
XLogP-1.14
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-nitrophenyl)arsonic acid?
The IUPAC name of (4-hydroxy-3-nitrophenyl)arsonic acid (CID 5104) is (4-hydroxy-3-nitrophenyl)arsonic acid.
What is the SMILES notation for (4-hydroxy-3-nitrophenyl)arsonic acid?
The canonical SMILES for (4-hydroxy-3-nitrophenyl)arsonic acid is O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O.
What is the InChIKey of (4-hydroxy-3-nitrophenyl)arsonic acid?
The InChIKey is XMVJITFPVVRMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12).
What are the key properties of (4-hydroxy-3-nitrophenyl)arsonic acid?
(4-hydroxy-3-nitrophenyl)arsonic acid has a molecular weight of 263.04 g/mol, XLogP of -1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-nitrophenyl)arsonic acid is sourced from PubChem (CID 5104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).