arsane;nitrobenzene

C6H8AsNO2 — CID 174282180

IUPACarsane;nitrobenzene
SMILESO=[N+]([O-])c1ccccc1.[AsH3]
InChIInChI=1S/C6H5NO2.AsH3/c8-7(9)6-4-2-1-3-5-6;/h1-5H;1H3
InChIKeyZABOLBLTWABMRU-UHFFFAOYSA-N
MW201.06 g/mol
LogP0.41
Rot. Bonds1

About arsane;nitrobenzene

arsane;nitrobenzene (PubChem CID 174282180) has the molecular formula C6H8AsNO2 and a molecular weight of 201.06 g/mol. Its IUPAC name is arsane;nitrobenzene.

Molecular Properties

Compound Namearsane;nitrobenzene
PubChem CID174282180
Molecular FormulaC6H8AsNO2
Molecular Weight201.06 g/mol
Exact Mass200.98
IUPAC Namearsane;nitrobenzene
SMILESO=[N+]([O-])c1ccccc1.[AsH3]
InChIInChI=1S/C6H5NO2.AsH3/c8-7(9)6-4-2-1-3-5-6;/h1-5H;1H3
InChIKeyZABOLBLTWABMRU-UHFFFAOYSA-N
XLogP0.41
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 50.41
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

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iron;methane;nitrobenzene
CID 175081715
iron(3+);nitrobenzene;trichloride
CID 70503336
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CID 173371093
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196
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CID 163592574
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CID 174553859
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CID 173344007

Frequently Asked Questions

What is the IUPAC name of arsane;nitrobenzene?
The IUPAC name of arsane;nitrobenzene (CID 174282180) is arsane;nitrobenzene.
What is the SMILES notation for arsane;nitrobenzene?
The canonical SMILES for arsane;nitrobenzene is O=[N+]([O-])c1ccccc1.[AsH3].
What is the InChIKey of arsane;nitrobenzene?
The InChIKey is ZABOLBLTWABMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.AsH3/c8-7(9)6-4-2-1-3-5-6;/h1-5H;1H3.
What are the key properties of arsane;nitrobenzene?
arsane;nitrobenzene has a molecular weight of 201.06 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for arsane;nitrobenzene is sourced from PubChem (CID 174282180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).