CID 70513358

C8H10ClSn — CID 70513358

IUPAC—
SMILESCCl.Cc1ccccc1[Sn]
InChIInChI=1S/C7H7.CH3Cl.Sn/c1-7-5-3-2-4-6-7;1-2;/h2-5H,1H3;1H3;
InChIKeyPUPBTDAQJRRXLE-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.64
Rot. Bonds

About CID 70513358

CID 70513358 (PubChem CID 70513358) has the molecular formula C8H10ClSn and a molecular weight of 260.33 g/mol.

Molecular Properties

Compound NameCID 70513358
PubChem CID70513358
Molecular FormulaC8H10ClSn
Molecular Weight260.33 g/mol
Exact Mass260.95
IUPAC Name—
SMILESCCl.Cc1ccccc1[Sn]
InChIInChI=1S/C7H7.CH3Cl.Sn/c1-7-5-3-2-4-6-7;1-2;/h2-5H,1H3;1H3;
InChIKeyPUPBTDAQJRRXLE-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.64
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 70513358?
The IUPAC name of CID 70513358 (CID 70513358) is not available.
What is the SMILES notation for CID 70513358?
The canonical SMILES for CID 70513358 is CCl.Cc1ccccc1[Sn].
What is the InChIKey of CID 70513358?
The InChIKey is PUPBTDAQJRRXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.CH3Cl.Sn/c1-7-5-3-2-4-6-7;1-2;/h2-5H,1H3;1H3;.
What are the key properties of CID 70513358?
CID 70513358 has a molecular weight of 260.33 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70513358 is sourced from PubChem (CID 70513358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).