arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone

C13H12AsNO8 — CID 160665617

IUPACarsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1.O=[As](O)(O)O
InChIInChI=1S/C13H9NO4.AsH3O4/c15-12-7-6-10(8-11(12)14(17)18)13(16)9-4-2-1-3-5-9;2-1(3,4)5/h1-8,15H;(H3,2,3,4,5)
InChIKeyRMGIDVSMSUGSLH-UHFFFAOYSA-N
MW385.16 g/mol
LogP0.36
Rot. Bonds3

About arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone

arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone (PubChem CID 160665617) has the molecular formula C13H12AsNO8 and a molecular weight of 385.16 g/mol. Its IUPAC name is arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Namearsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone
PubChem CID160665617
Molecular FormulaC13H12AsNO8
Molecular Weight385.16 g/mol
Exact Mass384.98
IUPAC Namearsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1.O=[As](O)(O)O
InChIInChI=1S/C13H9NO4.AsH3O4/c15-12-7-6-10(8-11(12)14(17)18)13(16)9-4-2-1-3-5-9;2-1(3,4)5/h1-8,15H;(H3,2,3,4,5)
InChIKeyRMGIDVSMSUGSLH-UHFFFAOYSA-N
XLogP0.36
TPSA158.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone?
The IUPAC name of arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone (CID 160665617) is arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone.
What is the SMILES notation for arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone?
The canonical SMILES for arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1.O=[As](O)(O)O.
What is the InChIKey of arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone?
The InChIKey is RMGIDVSMSUGSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4.AsH3O4/c15-12-7-6-10(8-11(12)14(17)18)13(16)9-4-2-1-3-5-9;2-1(3,4)5/h1-8,15H;(H3,2,3,4,5).
What are the key properties of arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone?
arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone has a molecular weight of 385.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for arsoric acid;(4-hydroxy-3-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 160665617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).