CID 88515182

C14H11BCl2 — CID 88515182

IUPAC—
SMILES[B]CC(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H11BCl2/c15-9-12(10-5-1-3-7-13(10)16)11-6-2-4-8-14(11)17/h1-8,12H,9H2
InChIKeyIPAMOJHPTLIVCU-UHFFFAOYSA-N
MW260.96 g/mol
LogP4.71
Rot. Bonds3

About CID 88515182

CID 88515182 (PubChem CID 88515182) has the molecular formula C14H11BCl2 and a molecular weight of 260.96 g/mol.

Molecular Properties

Compound NameCID 88515182
PubChem CID88515182
Molecular FormulaC14H11BCl2
Molecular Weight260.96 g/mol
Exact Mass260.03
IUPAC Name—
SMILES[B]CC(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H11BCl2/c15-9-12(10-5-1-3-7-13(10)16)11-6-2-4-8-14(11)17/h1-8,12H,9H2
InChIKeyIPAMOJHPTLIVCU-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.96
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 88515182?
The IUPAC name of CID 88515182 (CID 88515182) is not available.
What is the SMILES notation for CID 88515182?
The canonical SMILES for CID 88515182 is [B]CC(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of CID 88515182?
The InChIKey is IPAMOJHPTLIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BCl2/c15-9-12(10-5-1-3-7-13(10)16)11-6-2-4-8-14(11)17/h1-8,12H,9H2.
What are the key properties of CID 88515182?
CID 88515182 has a molecular weight of 260.96 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88515182 is sourced from PubChem (CID 88515182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).