5-bromo-10-chloroboranthrene

C12H8B2BrCl — CID 153468670

IUPAC5-bromo-10-chloroboranthrene
SMILESClB1c2ccccc2B(Br)c2ccccc21
InChIInChI=1S/C12H8B2BrCl/c15-13-9-5-1-3-7-11(9)14(16)12-8-4-2-6-10(12)13/h1-8H
InChIKeyGOZFCIPFJKCBET-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.85
Rot. Bonds

About 5-bromo-10-chloroboranthrene

5-bromo-10-chloroboranthrene (PubChem CID 153468670) has the molecular formula C12H8B2BrCl and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-bromo-10-chloroboranthrene.

Molecular Properties

Compound Name5-bromo-10-chloroboranthrene
PubChem CID153468670
Molecular FormulaC12H8B2BrCl
Molecular Weight289.18 g/mol
Exact Mass287.97
IUPAC Name5-bromo-10-chloroboranthrene
SMILESClB1c2ccccc2B(Br)c2ccccc21
InChIInChI=1S/C12H8B2BrCl/c15-13-9-5-1-3-7-11(9)14(16)12-8-4-2-6-10(12)13/h1-8H
InChIKeyGOZFCIPFJKCBET-UHFFFAOYSA-N
XLogP0.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 5-bromo-10-chloroboranthrene?
The IUPAC name of 5-bromo-10-chloroboranthrene (CID 153468670) is 5-bromo-10-chloroboranthrene.
What is the SMILES notation for 5-bromo-10-chloroboranthrene?
The canonical SMILES for 5-bromo-10-chloroboranthrene is ClB1c2ccccc2B(Br)c2ccccc21.
What is the InChIKey of 5-bromo-10-chloroboranthrene?
The InChIKey is GOZFCIPFJKCBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8B2BrCl/c15-13-9-5-1-3-7-11(9)14(16)12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of 5-bromo-10-chloroboranthrene?
5-bromo-10-chloroboranthrene has a molecular weight of 289.18 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-10-chloroboranthrene is sourced from PubChem (CID 153468670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).