arsoric acid;2,3,4,5,6-pentachlorophenol

C6H4AsCl5O5 — CID 158679056

IUPACarsoric acid;2,3,4,5,6-pentachlorophenol
SMILESO=[As](O)(O)O.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl5O.AsH3O4/c7-1-2(8)4(10)6(12)5(11)3(1)9;2-1(3,4)5/h12H;(H3,2,3,4,5)
InChIKeyIEWQPKKCQVKOEC-UHFFFAOYSA-N
MW408.28 g/mol
LogP2.49
Rot. Bonds

About arsoric acid;2,3,4,5,6-pentachlorophenol

arsoric acid;2,3,4,5,6-pentachlorophenol (PubChem CID 158679056) has the molecular formula C6H4AsCl5O5 and a molecular weight of 408.28 g/mol. Its IUPAC name is arsoric acid;2,3,4,5,6-pentachlorophenol.

Molecular Properties

Compound Namearsoric acid;2,3,4,5,6-pentachlorophenol
PubChem CID158679056
Molecular FormulaC6H4AsCl5O5
Molecular Weight408.28 g/mol
Exact Mass405.77
IUPAC Namearsoric acid;2,3,4,5,6-pentachlorophenol
SMILESO=[As](O)(O)O.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl5O.AsH3O4/c7-1-2(8)4(10)6(12)5(11)3(1)9;2-1(3,4)5/h12H;(H3,2,3,4,5)
InChIKeyIEWQPKKCQVKOEC-UHFFFAOYSA-N
XLogP2.49
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of arsoric acid;2,3,4,5,6-pentachlorophenol?
The IUPAC name of arsoric acid;2,3,4,5,6-pentachlorophenol (CID 158679056) is arsoric acid;2,3,4,5,6-pentachlorophenol.
What is the SMILES notation for arsoric acid;2,3,4,5,6-pentachlorophenol?
The canonical SMILES for arsoric acid;2,3,4,5,6-pentachlorophenol is O=[As](O)(O)O.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of arsoric acid;2,3,4,5,6-pentachlorophenol?
The InChIKey is IEWQPKKCQVKOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl5O.AsH3O4/c7-1-2(8)4(10)6(12)5(11)3(1)9;2-1(3,4)5/h12H;(H3,2,3,4,5).
What are the key properties of arsoric acid;2,3,4,5,6-pentachlorophenol?
arsoric acid;2,3,4,5,6-pentachlorophenol has a molecular weight of 408.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for arsoric acid;2,3,4,5,6-pentachlorophenol is sourced from PubChem (CID 158679056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).