6-chloro-5H-benzo[c][1,2]benzazaborinine

C12H9BClN — CID 24973895

IUPAC6-chloro-5H-benzo[c][1,2]benzazaborinine
SMILESClB1Nc2ccccc2-c2ccccc21
InChIInChI=1S/C12H9BClN/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-13/h1-8,15H
InChIKeyGRNXYFFVBSYCLQ-UHFFFAOYSA-N
MW213.48 g/mol
LogP2.71
Rot. Bonds

About 6-chloro-5H-benzo[c][1,2]benzazaborinine

6-chloro-5H-benzo[c][1,2]benzazaborinine (PubChem CID 24973895) has the molecular formula C12H9BClN and a molecular weight of 213.48 g/mol. Its IUPAC name is 6-chloro-5H-benzo[c][1,2]benzazaborinine.

Molecular Properties

Compound Name6-chloro-5H-benzo[c][1,2]benzazaborinine
PubChem CID24973895
Molecular FormulaC12H9BClN
Molecular Weight213.48 g/mol
Exact Mass213.05
IUPAC Name6-chloro-5H-benzo[c][1,2]benzazaborinine
SMILESClB1Nc2ccccc2-c2ccccc21
InChIInChI=1S/C12H9BClN/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-13/h1-8,15H
InChIKeyGRNXYFFVBSYCLQ-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5H-benzo[c][1,2]benzazaborinine?
The IUPAC name of 6-chloro-5H-benzo[c][1,2]benzazaborinine (CID 24973895) is 6-chloro-5H-benzo[c][1,2]benzazaborinine.
What is the SMILES notation for 6-chloro-5H-benzo[c][1,2]benzazaborinine?
The canonical SMILES for 6-chloro-5H-benzo[c][1,2]benzazaborinine is ClB1Nc2ccccc2-c2ccccc21.
What is the InChIKey of 6-chloro-5H-benzo[c][1,2]benzazaborinine?
The InChIKey is GRNXYFFVBSYCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BClN/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-13/h1-8,15H.
What are the key properties of 6-chloro-5H-benzo[c][1,2]benzazaborinine?
6-chloro-5H-benzo[c][1,2]benzazaborinine has a molecular weight of 213.48 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5H-benzo[c][1,2]benzazaborinine is sourced from PubChem (CID 24973895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).