(4-hydroxy-3-nitrophenyl)arsinic acid

C6H6AsNO5 — CID 154085716

IUPAC(4-hydroxy-3-nitrophenyl)arsinic acid
SMILESO=[N+]([O-])c1cc([AsH](=O)O)ccc1O
InChIInChI=1S/C6H6AsNO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,7,9H,(H,10,11)
InChIKeyQYTBUHYLQBWDSV-UHFFFAOYSA-N
MW247.04 g/mol
LogP-0.85
Rot. Bonds2

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

(4-hydroxy-3-nitrophenyl)arsinic acid (PubChem CID 154085716) has the molecular formula C6H6AsNO5 and a molecular weight of 247.04 g/mol. Its IUPAC name is (4-hydroxy-3-nitrophenyl)arsinic acid.

Molecular Properties

Compound Name(4-hydroxy-3-nitrophenyl)arsinic acid
PubChem CID154085716
Molecular FormulaC6H6AsNO5
Molecular Weight247.04 g/mol
Exact Mass246.95
IUPAC Name(4-hydroxy-3-nitrophenyl)arsinic acid
SMILESO=[N+]([O-])c1cc([AsH](=O)O)ccc1O
InChIInChI=1S/C6H6AsNO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,7,9H,(H,10,11)
InChIKeyQYTBUHYLQBWDSV-UHFFFAOYSA-N
XLogP-0.85
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
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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Related Compounds

azane;2,4-dinitrophenol;hydrate
CID 174664401
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
4-hydroxy-3-nitrobenzaldehyde
CID 18169
4-hydroxy-3-nitrobenzenesulfonyl chloride
CID 3670479
2-nitro-4-phenylphenol
CID 13447
(3-amino-4-hydroxyphenyl)arsinic acid
CID 154083921
4-[2-[4-[2-(4-hydroxy-3-nitrophenyl)propan-2-yl]phenyl]propan-2-yl]-2-nitrophenol
CID 19356840
4-cyclopropyl-2-nitrophenol
CID 12608020
4-methyl-2-nitrophenol;4-methylphenol
CID 21439085
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
2-nitrobenzene-1,3-diol;2-nitrobenzene-1,4-diol
CID 162059656

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-nitrophenyl)arsinic acid?
The IUPAC name of (4-hydroxy-3-nitrophenyl)arsinic acid (CID 154085716) is (4-hydroxy-3-nitrophenyl)arsinic acid.
What is the SMILES notation for (4-hydroxy-3-nitrophenyl)arsinic acid?
The canonical SMILES for (4-hydroxy-3-nitrophenyl)arsinic acid is O=[N+]([O-])c1cc([AsH](=O)O)ccc1O.
What is the InChIKey of (4-hydroxy-3-nitrophenyl)arsinic acid?
The InChIKey is QYTBUHYLQBWDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsNO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,7,9H,(H,10,11).
What are the key properties of (4-hydroxy-3-nitrophenyl)arsinic acid?
(4-hydroxy-3-nitrophenyl)arsinic acid has a molecular weight of 247.04 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-nitrophenyl)arsinic acid is sourced from PubChem (CID 154085716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).