CID 173454046

BrClFe — CID 173454046

IUPAC—
SMILESClBr.[Fe]
InChIInChI=1S/BrCl.Fe/c1-2;
InChIKeyUDMCNDNMUMCRIF-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.53
Rot. Bonds

About CID 173454046

CID 173454046 (PubChem CID 173454046) has the molecular formula BrClFe and a molecular weight of 171.20 g/mol.

Molecular Properties

Compound NameCID 173454046
PubChem CID173454046
Molecular FormulaBrClFe
Molecular Weight171.20 g/mol
Exact Mass169.82
IUPAC Name—
SMILESClBr.[Fe]
InChIInChI=1S/BrCl.Fe/c1-2;
InChIKeyUDMCNDNMUMCRIF-UHFFFAOYSA-N
XLogP1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173454046?
The IUPAC name of CID 173454046 (CID 173454046) is not available.
What is the SMILES notation for CID 173454046?
The canonical SMILES for CID 173454046 is ClBr.[Fe].
What is the InChIKey of CID 173454046?
The InChIKey is UDMCNDNMUMCRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/BrCl.Fe/c1-2;.
What are the key properties of CID 173454046?
CID 173454046 has a molecular weight of 171.20 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173454046 is sourced from PubChem (CID 173454046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).