arsorosobenzene

C6H5AsO — CID 4778

IUPACarsorosobenzene
SMILESO=[As]c1ccccc1
InChIInChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKeyBQVCCPGCDUSGOE-UHFFFAOYSA-N
MW168.03 g/mol
LogP0.36
Rot. Bonds1

About arsorosobenzene

arsorosobenzene (PubChem CID 4778) has the molecular formula C6H5AsO and a molecular weight of 168.03 g/mol. Its IUPAC name is arsorosobenzene.

Molecular Properties

Compound Namearsorosobenzene
PubChem CID4778
Molecular FormulaC6H5AsO
Molecular Weight168.03 g/mol
Exact Mass167.96
IUPAC Namearsorosobenzene
SMILESO=[As]c1ccccc1
InChIInChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKeyBQVCCPGCDUSGOE-UHFFFAOYSA-N
XLogP0.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.03
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of arsorosobenzene?
The IUPAC name of arsorosobenzene (CID 4778) is arsorosobenzene.
What is the SMILES notation for arsorosobenzene?
The canonical SMILES for arsorosobenzene is O=[As]c1ccccc1.
What is the InChIKey of arsorosobenzene?
The InChIKey is BQVCCPGCDUSGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of arsorosobenzene?
arsorosobenzene has a molecular weight of 168.03 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for arsorosobenzene is sourced from PubChem (CID 4778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).