2-bromo-6-chloroanthracene

C14H8BrCl — CID 22728523

IUPAC2-bromo-6-chloroanthracene
SMILESClc1ccc2cc3cc(Br)ccc3cc2c1
InChIInChI=1S/C14H8BrCl/c15-13-3-1-9-6-12-8-14(16)4-2-10(12)5-11(9)7-13/h1-8H
InChIKeyYSSZZZNCFSZJSJ-UHFFFAOYSA-N
MW291.58 g/mol
LogP5.41
Rot. Bonds

About 2-bromo-6-chloroanthracene

2-bromo-6-chloroanthracene (PubChem CID 22728523) has the molecular formula C14H8BrCl and a molecular weight of 291.58 g/mol. Its IUPAC name is 2-bromo-6-chloroanthracene.

Molecular Properties

Compound Name2-bromo-6-chloroanthracene
PubChem CID22728523
Molecular FormulaC14H8BrCl
Molecular Weight291.58 g/mol
Exact Mass289.95
IUPAC Name2-bromo-6-chloroanthracene
SMILESClc1ccc2cc3cc(Br)ccc3cc2c1
InChIInChI=1S/C14H8BrCl/c15-13-3-1-9-6-12-8-14(16)4-2-10(12)5-11(9)7-13/h1-8H
InChIKeyYSSZZZNCFSZJSJ-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.58
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloroanthracene?
The IUPAC name of 2-bromo-6-chloroanthracene (CID 22728523) is 2-bromo-6-chloroanthracene.
What is the SMILES notation for 2-bromo-6-chloroanthracene?
The canonical SMILES for 2-bromo-6-chloroanthracene is Clc1ccc2cc3cc(Br)ccc3cc2c1.
What is the InChIKey of 2-bromo-6-chloroanthracene?
The InChIKey is YSSZZZNCFSZJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl/c15-13-3-1-9-6-12-8-14(16)4-2-10(12)5-11(9)7-13/h1-8H.
What are the key properties of 2-bromo-6-chloroanthracene?
2-bromo-6-chloroanthracene has a molecular weight of 291.58 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloroanthracene is sourced from PubChem (CID 22728523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).