CID 88509431

C9H10ClSn — CID 88509431

IUPAC—
SMILESCC(Cl)Cc1ccccc1[Sn]
InChIInChI=1S/C9H10Cl.Sn/c1-8(10)7-9-5-3-2-4-6-9;/h2-5,8H,7H2,1H3;
InChIKeyHBBOGZSCMOFELQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.65
Rot. Bonds2

About CID 88509431

CID 88509431 (PubChem CID 88509431) has the molecular formula C9H10ClSn and a molecular weight of 272.34 g/mol.

Molecular Properties

Compound NameCID 88509431
PubChem CID88509431
Molecular FormulaC9H10ClSn
Molecular Weight272.34 g/mol
Exact Mass272.95
IUPAC Name—
SMILESCC(Cl)Cc1ccccc1[Sn]
InChIInChI=1S/C9H10Cl.Sn/c1-8(10)7-9-5-3-2-4-6-9;/h2-5,8H,7H2,1H3;
InChIKeyHBBOGZSCMOFELQ-UHFFFAOYSA-N
XLogP1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.65
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 88509431?
The IUPAC name of CID 88509431 (CID 88509431) is not available.
What is the SMILES notation for CID 88509431?
The canonical SMILES for CID 88509431 is CC(Cl)Cc1ccccc1[Sn].
What is the InChIKey of CID 88509431?
The InChIKey is HBBOGZSCMOFELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl.Sn/c1-8(10)7-9-5-3-2-4-6-9;/h2-5,8H,7H2,1H3;.
What are the key properties of CID 88509431?
CID 88509431 has a molecular weight of 272.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88509431 is sourced from PubChem (CID 88509431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).