CID 88515237

C7H6BCl — CID 88515237

IUPAC—
SMILES[B]Cc1ccccc1Cl
InChIInChI=1S/C7H6BCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKeyGDORXHBGEHHVMV-UHFFFAOYSA-N
MW136.39 g/mol
LogP2.01
Rot. Bonds1

About CID 88515237

CID 88515237 (PubChem CID 88515237) has the molecular formula C7H6BCl and a molecular weight of 136.39 g/mol.

Molecular Properties

Compound NameCID 88515237
PubChem CID88515237
Molecular FormulaC7H6BCl
Molecular Weight136.39 g/mol
Exact Mass136.03
IUPAC Name—
SMILES[B]Cc1ccccc1Cl
InChIInChI=1S/C7H6BCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKeyGDORXHBGEHHVMV-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.39
LogP ≤ 52.01
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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CID 14716738
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Frequently Asked Questions

What is the IUPAC name of CID 88515237?
The IUPAC name of CID 88515237 (CID 88515237) is not available.
What is the SMILES notation for CID 88515237?
The canonical SMILES for CID 88515237 is [B]Cc1ccccc1Cl.
What is the InChIKey of CID 88515237?
The InChIKey is GDORXHBGEHHVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BCl/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2.
What are the key properties of CID 88515237?
CID 88515237 has a molecular weight of 136.39 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88515237 is sourced from PubChem (CID 88515237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).