CID 155724213

C6H6I- — CID 155724213

IUPAC—
SMILESC=C1C=C[I-]C1=C
InChIInChI=1S/C6H6I/c1-5-3-4-7-6(5)2/h3-4H,1-2H2/q-1
InChIKeyRIEBDSDABOQMST-UHFFFAOYSA-N
MW205.02 g/mol
LogP-1.33
Rot. Bonds

About CID 155724213

CID 155724213 (PubChem CID 155724213) has the molecular formula C6H6I- and a molecular weight of 205.02 g/mol.

Molecular Properties

Compound NameCID 155724213
PubChem CID155724213
Molecular FormulaC6H6I-
Molecular Weight205.02 g/mol
Exact Mass204.95
IUPAC Name—
SMILESC=C1C=C[I-]C1=C
InChIInChI=1S/C6H6I/c1-5-3-4-7-6(5)2/h3-4H,1-2H2/q-1
InChIKeyRIEBDSDABOQMST-UHFFFAOYSA-N
XLogP-1.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155724213?
The IUPAC name of CID 155724213 (CID 155724213) is not available.
What is the SMILES notation for CID 155724213?
The canonical SMILES for CID 155724213 is C=C1C=C[I-]C1=C.
What is the InChIKey of CID 155724213?
The InChIKey is RIEBDSDABOQMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6I/c1-5-3-4-7-6(5)2/h3-4H,1-2H2/q-1.
What are the key properties of CID 155724213?
CID 155724213 has a molecular weight of 205.02 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155724213 is sourced from PubChem (CID 155724213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).