CID 19876384

C6H4BiCl2NO2 — CID 19876384

IUPAC—
SMILESO=[N+]([O-])c1ccc([Bi+2])cc1.[Cl-].[Cl-]
InChIInChI=1S/C6H4NO2.Bi.2ClH/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H;;2*1H/q;+2;;/p-2
InChIKeyVTWLXXYERDQGNX-UHFFFAOYSA-L
MW401.99 g/mol
LogP-5.60
Rot. Bonds1

About CID 19876384

CID 19876384 (PubChem CID 19876384) has the molecular formula C6H4BiCl2NO2 and a molecular weight of 401.99 g/mol.

Molecular Properties

Compound NameCID 19876384
PubChem CID19876384
Molecular FormulaC6H4BiCl2NO2
Molecular Weight401.99 g/mol
Exact Mass400.94
IUPAC Name—
SMILESO=[N+]([O-])c1ccc([Bi+2])cc1.[Cl-].[Cl-]
InChIInChI=1S/C6H4NO2.Bi.2ClH/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H;;2*1H/q;+2;;/p-2
InChIKeyVTWLXXYERDQGNX-UHFFFAOYSA-L
XLogP-5.60
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.99
LogP ≤ 5-5.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 19876384?
The IUPAC name of CID 19876384 (CID 19876384) is not available.
What is the SMILES notation for CID 19876384?
The canonical SMILES for CID 19876384 is O=[N+]([O-])c1ccc([Bi+2])cc1.[Cl-].[Cl-].
What is the InChIKey of CID 19876384?
The InChIKey is VTWLXXYERDQGNX-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H4NO2.Bi.2ClH/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H;;2*1H/q;+2;;/p-2.
What are the key properties of CID 19876384?
CID 19876384 has a molecular weight of 401.99 g/mol, XLogP of -5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19876384 is sourced from PubChem (CID 19876384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).