diphenylarsinic acid

C12H11AsO2 — CID 20770

IUPACdiphenylarsinic acid
SMILESO=[As](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11AsO2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKeySKYRWWOGLYJNCD-UHFFFAOYSA-N
MW262.14 g/mol
LogP0.67
Rot. Bonds2

About diphenylarsinic acid

diphenylarsinic acid (PubChem CID 20770) has the molecular formula C12H11AsO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is diphenylarsinic acid.

Molecular Properties

Compound Namediphenylarsinic acid
PubChem CID20770
Molecular FormulaC12H11AsO2
Molecular Weight262.14 g/mol
Exact Mass262.00
IUPAC Namediphenylarsinic acid
SMILESO=[As](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11AsO2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChIKeySKYRWWOGLYJNCD-UHFFFAOYSA-N
XLogP0.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
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 diphenylarsinic acid?
The IUPAC name of diphenylarsinic acid (CID 20770) is diphenylarsinic acid.
What is the SMILES notation for diphenylarsinic acid?
The canonical SMILES for diphenylarsinic acid is O=[As](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylarsinic acid?
The InChIKey is SKYRWWOGLYJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11AsO2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15).
What are the key properties of diphenylarsinic acid?
diphenylarsinic acid has a molecular weight of 262.14 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylarsinic acid is sourced from PubChem (CID 20770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).