CID 173029563

C6H8Cl3OSn — CID 173029563

IUPAC—
SMILESCl.Cl.Cl.[Sn]Oc1ccccc1
InChIInChI=1S/C6H6O.3ClH.Sn/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H;/q;;;;+1/p-1
InChIKeyJUNHGRVCPORYDV-UHFFFAOYSA-M
MW321.20 g/mol
LogP2.41
Rot. Bonds1

About CID 173029563

CID 173029563 (PubChem CID 173029563) has the molecular formula C6H8Cl3OSn and a molecular weight of 321.20 g/mol.

Molecular Properties

Compound NameCID 173029563
PubChem CID173029563
Molecular FormulaC6H8Cl3OSn
Molecular Weight321.20 g/mol
Exact Mass320.87
IUPAC Name—
SMILESCl.Cl.Cl.[Sn]Oc1ccccc1
InChIInChI=1S/C6H6O.3ClH.Sn/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H;/q;;;;+1/p-1
InChIKeyJUNHGRVCPORYDV-UHFFFAOYSA-M
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 173029563?
The IUPAC name of CID 173029563 (CID 173029563) is not available.
What is the SMILES notation for CID 173029563?
The canonical SMILES for CID 173029563 is Cl.Cl.Cl.[Sn]Oc1ccccc1.
What is the InChIKey of CID 173029563?
The InChIKey is JUNHGRVCPORYDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.3ClH.Sn/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H;/q;;;;+1/p-1.
What are the key properties of CID 173029563?
CID 173029563 has a molecular weight of 321.20 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173029563 is sourced from PubChem (CID 173029563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).