CID 70626628

C8H9Cl2OSn — CID 70626628

IUPAC—
SMILESCl[Sn](Cl)OCCc1ccccc1
InChIInChI=1S/C8H9O.2ClH.Sn/c9-7-6-8-4-2-1-3-5-8;;;/h1-5H,6-7H2;2*1H;/q-1;;;+3/p-2
InChIKeyIURXWANXDQVUOW-UHFFFAOYSA-L
MW310.78 g/mol
LogP2.71
Rot. Bonds4

About CID 70626628

CID 70626628 (PubChem CID 70626628) has the molecular formula C8H9Cl2OSn and a molecular weight of 310.78 g/mol.

Molecular Properties

Compound NameCID 70626628
PubChem CID70626628
Molecular FormulaC8H9Cl2OSn
Molecular Weight310.78 g/mol
Exact Mass310.91
IUPAC Name—
SMILESCl[Sn](Cl)OCCc1ccccc1
InChIInChI=1S/C8H9O.2ClH.Sn/c9-7-6-8-4-2-1-3-5-8;;;/h1-5H,6-7H2;2*1H;/q-1;;;+3/p-2
InChIKeyIURXWANXDQVUOW-UHFFFAOYSA-L
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 70626628?
The IUPAC name of CID 70626628 (CID 70626628) is not available.
What is the SMILES notation for CID 70626628?
The canonical SMILES for CID 70626628 is Cl[Sn](Cl)OCCc1ccccc1.
What is the InChIKey of CID 70626628?
The InChIKey is IURXWANXDQVUOW-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H9O.2ClH.Sn/c9-7-6-8-4-2-1-3-5-8;;;/h1-5H,6-7H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of CID 70626628?
CID 70626628 has a molecular weight of 310.78 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70626628 is sourced from PubChem (CID 70626628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).