2-nitro-1H-arsole

C4H4AsNO2 — CID 173346715

IUPAC2-nitro-1H-arsole
SMILESO=[N+]([O-])C1=CC=C[AsH]1
InChIInChI=1S/C4H4AsNO2/c7-6(8)4-2-1-3-5-4/h1-3,5H
InChIKeyFDWREGZKEBDXEF-UHFFFAOYSA-N
MW173.00 g/mol
LogP0.07
Rot. Bonds1

About 2-nitro-1H-arsole

2-nitro-1H-arsole (PubChem CID 173346715) has the molecular formula C4H4AsNO2 and a molecular weight of 173.00 g/mol. Its IUPAC name is 2-nitro-1H-arsole.

Molecular Properties

Compound Name2-nitro-1H-arsole
PubChem CID173346715
Molecular FormulaC4H4AsNO2
Molecular Weight173.00 g/mol
Exact Mass172.95
IUPAC Name2-nitro-1H-arsole
SMILESO=[N+]([O-])C1=CC=C[AsH]1
InChIInChI=1S/C4H4AsNO2/c7-6(8)4-2-1-3-5-4/h1-3,5H
InChIKeyFDWREGZKEBDXEF-UHFFFAOYSA-N
XLogP0.07
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.00
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-Nitroselenophene
CID 139933
2,4-dinitro-1H-arsole
CID 173268745
2-Nitrotellurophene
CID 100978185

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1H-arsole?
The IUPAC name of 2-nitro-1H-arsole (CID 173346715) is 2-nitro-1H-arsole.
What is the SMILES notation for 2-nitro-1H-arsole?
The canonical SMILES for 2-nitro-1H-arsole is O=[N+]([O-])C1=CC=C[AsH]1.
What is the InChIKey of 2-nitro-1H-arsole?
The InChIKey is FDWREGZKEBDXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4AsNO2/c7-6(8)4-2-1-3-5-4/h1-3,5H.
What are the key properties of 2-nitro-1H-arsole?
2-nitro-1H-arsole has a molecular weight of 173.00 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1H-arsole is sourced from PubChem (CID 173346715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).