CID 154097613

C6H4AsINO5 — CID 154097613

IUPAC—
SMILESO=[N+]([O-])c1cc([As](=O)O)cc(I)c1O
InChIInChI=1S/C6H4AsINO5/c8-4-1-3(7(11)12)2-5(6(4)10)9(13)14/h1-2,10H,(H,11,12)
InChIKeyBPRZAXKJCBWWBX-UHFFFAOYSA-N
MW371.93 g/mol
LogP0.02
Rot. Bonds2

About CID 154097613

CID 154097613 (PubChem CID 154097613) has the molecular formula C6H4AsINO5 and a molecular weight of 371.93 g/mol.

Molecular Properties

Compound NameCID 154097613
PubChem CID154097613
Molecular FormulaC6H4AsINO5
Molecular Weight371.93 g/mol
Exact Mass371.84
IUPAC Name—
SMILESO=[N+]([O-])c1cc([As](=O)O)cc(I)c1O
InChIInChI=1S/C6H4AsINO5/c8-4-1-3(7(11)12)2-5(6(4)10)9(13)14/h1-2,10H,(H,11,12)
InChIKeyBPRZAXKJCBWWBX-UHFFFAOYSA-N
XLogP0.02
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2-(4-hydroxy-3-iodo-5-nitrophenyl)acetate
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4-chloro-2-[(5-chloro-2-hydroxy-3-iodophenyl)methyl]-6-nitrophenol
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2-bromo-4,6-dinitrobenzene-1,3-diol
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λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol
CID 173370701
thorium;2,4,6-trinitrophenol
CID 88723018
CID 87277719
CID 87277719
titanium;2,4,6-trinitrophenol
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titanium;tetrakis(2,4,6-trinitrophenol)
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Frequently Asked Questions

What is the IUPAC name of CID 154097613?
The IUPAC name of CID 154097613 (CID 154097613) is not available.
What is the SMILES notation for CID 154097613?
The canonical SMILES for CID 154097613 is O=[N+]([O-])c1cc([As](=O)O)cc(I)c1O.
What is the InChIKey of CID 154097613?
The InChIKey is BPRZAXKJCBWWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4AsINO5/c8-4-1-3(7(11)12)2-5(6(4)10)9(13)14/h1-2,10H,(H,11,12).
What are the key properties of CID 154097613?
CID 154097613 has a molecular weight of 371.93 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154097613 is sourced from PubChem (CID 154097613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).