(5-diazocyclohexa-1,3-dien-1-yl)arsinic acid

C6H7AsN2O2 — CID 154324353

IUPAC(5-diazocyclohexa-1,3-dien-1-yl)arsinic acid
SMILES[N-]=[N+]=C1C=CC=C([AsH](=O)O)C1
InChIInChI=1S/C6H7AsN2O2/c8-9-6-3-1-2-5(4-6)7(10)11/h1-3,7H,4H2,(H,10,11)
InChIKeyGJFJXXVSTRNQCZ-UHFFFAOYSA-N
MW214.06 g/mol
LogP-0.27
Rot. Bonds1

About (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid

(5-diazocyclohexa-1,3-dien-1-yl)arsinic acid (PubChem CID 154324353) has the molecular formula C6H7AsN2O2 and a molecular weight of 214.06 g/mol. Its IUPAC name is (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid.

Molecular Properties

Compound Name(5-diazocyclohexa-1,3-dien-1-yl)arsinic acid
PubChem CID154324353
Molecular FormulaC6H7AsN2O2
Molecular Weight214.06 g/mol
Exact Mass213.97
IUPAC Name(5-diazocyclohexa-1,3-dien-1-yl)arsinic acid
SMILES[N-]=[N+]=C1C=CC=C([AsH](=O)O)C1
InChIInChI=1S/C6H7AsN2O2/c8-9-6-3-1-2-5(4-6)7(10)11/h1-3,7H,4H2,(H,10,11)
InChIKeyGJFJXXVSTRNQCZ-UHFFFAOYSA-N
XLogP-0.27
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid?
The IUPAC name of (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid (CID 154324353) is (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid.
What is the SMILES notation for (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid?
The canonical SMILES for (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid is [N-]=[N+]=C1C=CC=C([AsH](=O)O)C1.
What is the InChIKey of (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid?
The InChIKey is GJFJXXVSTRNQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7AsN2O2/c8-9-6-3-1-2-5(4-6)7(10)11/h1-3,7H,4H2,(H,10,11).
What are the key properties of (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid?
(5-diazocyclohexa-1,3-dien-1-yl)arsinic acid has a molecular weight of 214.06 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-diazocyclohexa-1,3-dien-1-yl)arsinic acid is sourced from PubChem (CID 154324353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).