CID 88723030

C8H9ClSn — CID 88723030

IUPAC—
SMILESCc1ccccc1CCl.[Sn]
InChIInChI=1S/C8H9Cl.Sn/c1-7-4-2-3-5-8(7)6-9;/h2-5H,6H2,1H3;
InChIKeyIITGODMJWYPKMP-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.35
Rot. Bonds1

About CID 88723030

CID 88723030 (PubChem CID 88723030) has the molecular formula C8H9ClSn and a molecular weight of 259.32 g/mol.

Molecular Properties

Compound NameCID 88723030
PubChem CID88723030
Molecular FormulaC8H9ClSn
Molecular Weight259.32 g/mol
Exact Mass259.94
IUPAC Name—
SMILESCc1ccccc1CCl.[Sn]
InChIInChI=1S/C8H9Cl.Sn/c1-7-4-2-3-5-8(7)6-9;/h2-5H,6H2,1H3;
InChIKeyIITGODMJWYPKMP-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88723030?
The IUPAC name of CID 88723030 (CID 88723030) is not available.
What is the SMILES notation for CID 88723030?
The canonical SMILES for CID 88723030 is Cc1ccccc1CCl.[Sn].
What is the InChIKey of CID 88723030?
The InChIKey is IITGODMJWYPKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl.Sn/c1-7-4-2-3-5-8(7)6-9;/h2-5H,6H2,1H3;.
What are the key properties of CID 88723030?
CID 88723030 has a molecular weight of 259.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88723030 is sourced from PubChem (CID 88723030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).